##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
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# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
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#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
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#                                                                            #
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data_I
_audit_creation_method     SHELXL-2014
_journal_date_recd_electronic     2015-09-07
_journal_date_accepted     2015-09-18
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2015
_journal_volume     71
_journal_issue     10
_journal_page_first     1259
_journal_page_last     1261
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989015017478
_journal_coeditor_code     WM5214
_publ_contact_author_name     'Tomoaki Sugaya'
_publ_contact_author_address
;
Department of Chemistry and Biochemistry,
School of Advanced Science and Engineering,
Waseda University, Okubo, Shinjuku-ku, Tokyo 169-8555, Japan
;
_publ_contact_author_email     'tom-s@aoni.waseda.jp'
_publ_contact_author_fax     '+81-3-5286-3241'
_publ_contact_author_phone     '+81-3-5286-3241'
_publ_section_title
;\
Crystal structure of
[5-bromo-2-(pyridin-2-yl-\kN)phenyl-κC¹](pentane-2,4-\
dionato-κ²O,O')platinum(II)
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Fukuda, Keito' .
;
Department of Chemistry and Biochemistry,
School of Advanced Science and Engineering,
Waseda University, Okubo, Shinjuku-ku, Tokyo 169-8555, Japan
;
    'Sugaya, Tomoaki' .
;
Department of Chemistry and Biochemistry,
School of Advanced Science and Engineering,
Waseda University, Okubo, Shinjuku-ku, Tokyo 169-8555, Japan
;
    'Ishihara, Koji' .
;
Department of Chemistry and Biochemistry,
School of Advanced Science and Engineering,
Waseda University, Okubo, Shinjuku-ku, Tokyo 169-8555, Japan
;
_publ_section_synopsis
;
In the title complex, [Pt(C₁₁H₇BrN)(C₅H₇O₂)], two crystallographically
non-equivalent dimers stacked by π--π interactions are arranged
antiparallel to each other.
;
_chemical_name_systematic
;\
[5-Bromo-2-(pyridin-2-yl-\kN)phenyl-κC¹](pentane-2,4-\
dionato-κ²O,O')platinum(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C16 H14 Br N O2 Pt'
_chemical_formula_sum     'C16 H14 Br N O2 Pt'
_chemical_formula_iupac     '[Pt (C11 H7 Br N) (C5 H7 O2)]'
_chemical_formula_weight     527.28
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     17.557(2)
_cell_length_b     17.876(2)
_cell_length_c     19.832(2)
_cell_angle_alpha     90
_cell_angle_beta     91.3970(10)
_cell_angle_gamma     90
_cell_volume     6222.4(13)
_cell_formula_units_Z     16
_cell_measurement_reflns_used     9927
_cell_measurement_theta_min     2.28
_cell_measurement_theta_max     27.27
_cell_measurement_temperature     200(2)
_exptl_crystal_description     lath
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.180
_exptl_crystal_size_mid     0.060
_exptl_crystal_size_min     0.020
_exptl_crystal_density_diffrn     2.251
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     3936
_exptl_absorpt_coefficient_mu     11.591
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_shelx_estimated_absorpt_T_min     0.229
_shelx_estimated_absorpt_T_max     0.801
_exptl_absorpt_correction_T_min     0.48
_exptl_absorpt_correction_T_max     0.80
_exptl_special_details
;
;
_diffrn_ambient_temperature     200(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator     'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type     'Bruker APEXII CCD area detector'
_diffrn_measurement_method     'phi and omega scans'
_diffrn_detector_area_resol_mean     8.333
_diffrn_reflns_number     35025
_diffrn_reflns_av_R_equivalents     0.0379
_diffrn_reflns_theta_min     1.626
_diffrn_reflns_theta_max     27.481
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.995
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -22
_diffrn_reflns_limit_h_max     22
_diffrn_reflns_limit_k_min     -23
_diffrn_reflns_limit_k_max     23
_diffrn_reflns_limit_l_min     -25
_diffrn_reflns_limit_l_max     25
_refine_special_details     ?
_reflns_number_total     7103
_reflns_number_gt     6001
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0360
_refine_ls_R_factor_gt     0.0273
_refine_ls_wR_factor_gt     0.0658
_refine_ls_wR_factor_ref     0.0697
_refine_ls_goodness_of_fit_ref     1.009
_refine_ls_restrained_S_all     1.009
_refine_ls_number_reflns     7103
_refine_ls_number_parameters     383
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
             'w=1/[σ²(Fo²)+(0.0368P)²+16.0306P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     3.662
_refine_diff_density_min     -1.195
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Br' 'Br' -0.2901 2.4595
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Pt' 'Pt' -1.7033 8.3905
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and MERCURY (Macrae et al.,
2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Br Br1 0.63794(4) 0.11449(4) 0.24876(3) 0.06869(19) Uani d 1 . .
    Br Br2 0.13287(5) 0.08166(4) 0.25166(3) 0.06997(19) Uani d 1 . .
    C C1 0.6968(3) 0.1984(3) 0.6440(3) 0.0478(12) Uani d 1 . .
    H H1 0.7459 0.1928 0.6646 0.057 Uiso calc 1 . .
    C C2 0.6367(4) 0.2211(3) 0.6835(3) 0.0614(16) Uani d 1 . .
    H H2 0.6441 0.2304 0.7304 0.074 Uiso calc 1 . .
    C C3 0.5655(4) 0.2296(3) 0.6522(3) 0.0626(17) Uani d 1 . .
    H H3 0.5231 0.2449 0.6777 0.075 Uiso calc 1 . .
    C C4 0.5565(3) 0.2159(3) 0.5846(3) 0.0484(13) Uani d 1 . .
    H H4 0.5080 0.2221 0.5632 0.058 Uiso calc 1 . .
    C C5 0.6187(3) 0.1929(2) 0.5470(3) 0.0368(10) Uani d 1 . .
    C C6 0.6190(3) 0.1739(2) 0.4758(3) 0.0355(10) Uani d 1 . .
    C C7 0.5543(3) 0.1762(3) 0.4328(3) 0.0467(12) Uani d 1 . .
    H H7 0.5065 0.1904 0.4502 0.056 Uiso calc 1 . .
    C C8 0.5596(3) 0.1583(3) 0.3660(3) 0.0493(14) Uani d 1 . .
    H H8 0.5160 0.1593 0.3367 0.059 Uiso calc 1 . .
    C C9 0.6299(3) 0.1388(3) 0.3424(3) 0.0455(12) Uani d 1 . .
    C C10 0.6949(3) 0.1351(3) 0.3833(2) 0.0392(11) Uani d 1 . .
    H H10 0.7421 0.1207 0.3649 0.047 Uiso calc 1 . .
    C C11 0.6905(3) 0.1526(2) 0.4509(2) 0.0342(10) Uani d 1 . .
    C C12 0.9693(4) 0.1381(4) 0.6572(3) 0.0652(17) Uani d 1 . .
    H H12A 0.9552 0.1822 0.6835 0.098 Uiso calc 1 . .
    H H12B 1.0234 0.1410 0.6463 0.098 Uiso calc 1 . .
    H H12C 0.9602 0.0928 0.6837 0.098 Uiso calc 1 . .
    C C13 0.9223(3) 0.1355(3) 0.5936(3) 0.0445(12) Uani d 1 . .
    C C14 0.9569(3) 0.1148(3) 0.5327(3) 0.0475(13) Uani d 1 . .
    H H14 1.0104 0.1067 0.5349 0.057 Uiso calc 1 . .
    C C15 0.9213(3) 0.1051(3) 0.4705(3) 0.0395(11) Uani d 1 . .
    C C16 0.9671(3) 0.0762(3) 0.4126(3) 0.0514(14) Uani d 1 . .
    H H16A 0.9435 0.0305 0.3947 0.077 Uiso calc 1 . .
    H H16B 1.0192 0.0653 0.4286 0.077 Uiso calc 1 . .
    H H16C 0.9684 0.1142 0.3770 0.077 Uiso calc 1 . .
    C C17 0.1737(3) 0.2277(3) 0.6336(3) 0.0477(13) Uani d 1 . .
    H H17 0.1651 0.2790 0.6435 0.057 Uiso calc 1 . .
    C C18 0.1893(3) 0.1793(4) 0.6855(3) 0.0591(15) Uani d 1 . .
    H H18 0.1913 0.1967 0.7308 0.071 Uiso calc 1 . .
    C C19 0.2023(3) 0.1049(4) 0.6714(3) 0.0629(17) Uani d 1 . .
    H H19 0.2133 0.0706 0.7069 0.075 Uiso calc 1 . .
    C C20 0.1990(3) 0.0805(3) 0.6053(3) 0.0511(13) Uani d 1 . .
    H H20 0.2077 0.0293 0.5951 0.061 Uiso calc 1 . .
    C C21 0.1831(3) 0.1312(3) 0.5538(3) 0.0411(11) Uani d 1 . .
    C C22 0.1765(2) 0.1157(3) 0.4814(3) 0.0377(11) Uani d 1 . .
    C C23 0.1874(3) 0.0452(3) 0.4521(3) 0.0452(12) Uani d 1 . .
    H H23 0.2023 0.0040 0.4796 0.054 Uiso calc 1 . .
    C C24 0.1767(3) 0.0357(3) 0.3844(3) 0.0482(13) Uani d 1 . .
    H H24 0.1836 -0.0121 0.3645 0.058 Uiso calc 1 . .
    C C25 0.1556(3) 0.0967(3) 0.3451(3) 0.0444(12) Uani d 1 . .
    C C26 0.1472(3) 0.1677(3) 0.3722(3) 0.0410(11) Uani d 1 . .
    H H26 0.1346 0.2089 0.3438 0.049 Uiso calc 1 . .
    C C27 0.1574(3) 0.1782(3) 0.4412(3) 0.0360(10) Uani d 1 . .
    C C28 0.1093(4) 0.4917(3) 0.5815(3) 0.0568(15) Uani d 1 . .
    H H28A 0.0791 0.4731 0.6189 0.085 Uiso calc 1 . .
    H H28B 0.0838 0.5352 0.5611 0.085 Uiso calc 1 . .
    H H28C 0.1600 0.5062 0.5985 0.085 Uiso calc 1 . .
    C C29 0.1167(3) 0.4308(3) 0.5292(3) 0.0435(12) Uani d 1 . .
    C C30 0.1027(3) 0.4486(3) 0.4614(3) 0.0490(13) Uani d 1 . .
    H H30 0.0888 0.4990 0.4520 0.059 Uiso calc 1 . .
    C C31 0.1067(3) 0.4011(3) 0.4063(3) 0.0433(12) Uani d 1 . .
    C C32 0.0874(4) 0.4303(3) 0.3369(3) 0.0617(16) Uani d 1 . .
    H H32A 0.1263 0.4141 0.3055 0.093 Uiso calc 1 . .
    H H32B 0.0855 0.4851 0.3379 0.093 Uiso calc 1 . .
    H H32C 0.0376 0.4108 0.3219 0.093 Uiso calc 1 . .
    N N1 0.6882(2) 0.1843(2) 0.5787(2) 0.0349(8) Uani d 1 . .
    N N2 0.1701(2) 0.2051(2) 0.5697(2) 0.0368(9) Uani d 1 . .
    O O1 0.85200(19) 0.15218(18) 0.59970(18) 0.0418(8) Uani d 1 . .
    O O2 0.85083(18) 0.11665(19) 0.45482(17) 0.0402(8) Uani d 1 . .
    O O3 0.13515(19) 0.36673(18) 0.55181(18) 0.0410(8) Uani d 1 . .
    O O4 0.1237(2) 0.33092(18) 0.40711(17) 0.0400(8) Uani d 1 . .
    Pt Pt1 0.77288(2) 0.15171(2) 0.52011(2) 0.03211(6) Uani d 1 . .
    Pt Pt2 0.14668(2) 0.27243(2) 0.49142(2) 0.03308(6) Uani d 1 . .
_geom_special_details
;
Distance SDEV
3.4016 (0.0055) C22 - O3_$6 3.4056 (0.0070) C4 - C15_$5 3.6879 (0.0005) Pt1 -
Pt1_$5 3.7230 (0.0005) Pt2 - Pt2_$6
$5 1.5 - x, 0.5 - y, 1 - z $6 0.5 - x, 0.5 -
y, 1 - z
Least-squares planes (x,y,z in crystal coordinates) and
deviations from them (* indicates atom used to define plane)
17.0464 (0.0086) x + 3.5524 (0.0343) y - 3.1157 (0.0389) z
= 1.9362 (0.0174)
* -0.0159 (0.0032) C22 * 0.0106 (0.0035) C23 * 0.0050 (0.0037) C24 * -0.0152
(0.0036) C25 * 0.0096 (0.0034) C26 * 0.0059 (0.0032) C27
Rms deviation of fitted atoms = 0.0112
17.1816 (0.0082) x + 3.3837 (0.0389) y - 2.0681 (0.0436) z
= 2.4419 (0.0278)
Angle to previous plane (with approximate e.s.d.) = 3.118 (0.129)
* -0.0040 (0.0032) N2 * 0.0023 (0.0037) C17 * 0.0000 (0.0041) C18 * -0.0004
(0.0041) C19 * -0.0014 (0.0038) C20 * 0.0036 (0.0033) C21
Rms deviation of fitted atoms = 0.0025
3.5018 (0.0341) x + 17.1159 (0.0108) y - 4.2313 (0.0388) z
= 3.1261 (0.0262)
Angle to previous plane (with approximate e.s.d.) = 66.846 (0.177)
* 0.0047 (0.0032) C6 * -0.0001 (0.0036) C7 * -0.0055 (0.0037) C8 * 0.0064
(0.0036) C9 * -0.0015 (0.0033) C10 * -0.0040 (0.0031) C11
Rms deviation of fitted atoms = 0.0043
3.8621 (0.0359) x + 17.0726 (0.0113) y - 4.0479 (0.0426) z
= 3.4669 (0.0355)
Angle to previous plane (with approximate e.s.d.) = 1.309 (0.166)
* -0.0056 (0.0031) N1 * 0.0048 (0.0038) C1 * -0.0003 (0.0042) C2 * -0.0032
(0.0042) C3 * 0.0024 (0.0037) C4 * 0.0019 (0.0032) C5
Rms deviation of fitted atoms = 0.0035
17.0575 (0.0059) x + 3.8901 (0.0226) y - 2.3217 (0.0295) z
= 2.4371 (0.0163)
Angle to previous plane (with approximate e.s.d.) = 63.889 (0.149)
* 0.0136 (0.0026) O3 * 0.0004 (0.0034) C29 * -0.0121 (0.0038) C30 * -0.0006
(0.0035) C31 * 0.0149 (0.0026) O4 * -0.0162 (0.0018) Pt2
Rms deviation of fitted atoms = 0.0117
17.1494 (0.0057) x + 3.4219 (0.0232) y - 2.3782 (0.0383) z
= 2.2709 (0.0209)
Angle to previous plane (with approximate e.s.d.) = 1.538 (0.086)
* -0.0073 (0.0024) N2 * 0.0020 (0.0029) C21 * 0.0076 (0.0030) C22 * -0.0104
(0.0026) C27 * 0.0081 (0.0018) Pt2
Rms deviation of fitted atoms = 0.0076
3.7521 (0.0218) x + 17.0640 (0.0077) y - 4.2225 (0.0285) z
= 3.2745 (0.0235)
Angle to previous plane (with approximate e.s.d.) = 65.705 (0.111)
* -0.0132 (0.0026) O1 * -0.0080 (0.0035) C13 * 0.0257 (0.0037) C14 * -0.0103
(0.0034) C15 * -0.0121 (0.0026) O2 * 0.0179 (0.0017) Pt1
Rms deviation of fitted atoms = 0.0157
3.7578 (0.0215) x + 17.0576 (0.0090) y - 4.2485 (0.0367) z
= 3.2795 (0.0249)
Angle to previous plane (with approximate e.s.d.) = 0.080 (0.123)
* -0.0089 (0.0023) N1 * 0.0120 (0.0028) C5 * -0.0086 (0.0028) C6 * 0.0027
(0.0024) C11 * 0.0028 (0.0017) Pt1
Rms deviation of fitted atoms = 0.0079
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C9 C10 . 1.385(7) ?
    C6 C11 . 1.414(7) ?
    C10 C11 . 1.380(7) ?
    C12 C13 . 1.492(8) ?
    C13 C14 . 1.413(8) ?
    C14 C15 . 1.382(7) ?
    C15 C16 . 1.508(7) ?
    C17 C18 . 1.368(8) ?
    C18 C19 . 1.378(9) ?
    C1 C2 . 1.390(8) ?
    C19 C20 . 1.381(9) ?
    C20 C21 . 1.389(7) ?
    C21 C22 . 1.463(7) ?
    C22 C23 . 1.402(7) ?
    C23 C24 . 1.362(8) ?
    Br2 C25 . 1.905(5) ?
    C24 C25 . 1.386(8) ?
    C25 C26 . 1.388(7) ?
    C22 C27 . 1.407(6) ?
    C26 C27 . 1.388(7) ?
    C28 C29 . 1.511(7) ?
    C2 C3 . 1.392(9) ?
    C29 C30 . 1.397(8) ?
    C30 C31 . 1.387(8) ?
    C31 C32 . 1.504(8) ?
    C3 C4 . 1.367(9) ?
    C4 C5 . 1.400(7) ?
    C5 C6 . 1.452(7) ?
    C6 C7 . 1.404(7) ?
    C7 C8 . 1.369(8) ?
    Br1 C9 . 1.915(5) ?
    C8 C9 . 1.376(8) ?
    C1 H1 . 0.9500 ?
    C10 H10 . 0.9500 ?
    C12 H12A . 0.9800 ?
    C12 H12B . 0.9800 ?
    C12 H12C . 0.9800 ?
    C14 H14 . 0.9500 ?
    C16 H16A . 0.9800 ?
    C16 H16B . 0.9800 ?
    C16 H16C . 0.9800 ?
    C17 H17 . 0.9500 ?
    C18 H18 . 0.9500 ?
    C19 H19 . 0.9500 ?
    C2 H2 . 0.9500 ?
    C20 H20 . 0.9500 ?
    C23 H23 . 0.9500 ?
    C24 H24 . 0.9500 ?
    C26 H26 . 0.9500 ?
    C28 H28A . 0.9800 ?
    C28 H28B . 0.9800 ?
    C28 H28C . 0.9800 ?
    C3 H3 . 0.9500 ?
    C30 H30 . 0.9500 ?
    C32 H32A . 0.9800 ?
    C32 H32B . 0.9800 ?
    C32 H32C . 0.9800 ?
    C4 H4 . 0.9500 ?
    C7 H7 . 0.9500 ?
    C8 H8 . 0.9500 ?
    C1 N1 . 1.325(6) ?
    C5 N1 . 1.367(6) ?
    C17 N2 . 1.331(7) ?
    C21 N2 . 1.378(6) ?
    C13 O1 . 1.279(6) ?
    C15 O2 . 1.284(5) ?
    C29 O3 . 1.270(6) ?
    C31 O4 . 1.290(6) ?
    C11 Pt1 . 1.970(5) ?
    N1 Pt1 . 1.995(4) ?
    O1 Pt1 . 2.077(3) y
    O2 Pt1 . 2.007(3) y
    C27 Pt2 . 1.969(5) ?
    N2 Pt2 . 1.999(4) ?
    O3 Pt2 . 2.081(3) y
    O4 Pt2 . 2.005(3) y
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    N1 C1 C2 . . 122.5(5) ?
    N1 C1 H1 . . 118.8 ?
    C2 C1 H1 . . 118.8 ?
    C1 C2 C3 . . 117.8(6) ?
    C1 C2 H2 . . 121.1 ?
    C3 C2 H2 . . 121.1 ?
    C4 C3 C2 . . 119.9(6) ?
    C4 C3 H3 . . 120.0 ?
    C2 C3 H3 . . 120.0 ?
    C3 C4 C5 . . 120.2(5) ?
    C3 C4 H4 . . 119.9 ?
    C5 C4 H4 . . 119.9 ?
    N1 C5 C4 . . 119.1(5) ?
    N1 C5 C6 . . 113.4(4) ?
    C4 C5 C6 . . 127.5(5) ?
    C7 C6 C11 . . 120.6(5) ?
    C7 C6 C5 . . 124.2(5) ?
    C11 C6 C5 . . 115.2(4) ?
    C8 C7 C6 . . 120.5(5) ?
    C8 C7 H7 . . 119.8 ?
    C6 C7 H7 . . 119.8 ?
    C7 C8 C9 . . 118.2(5) ?
    C7 C8 H8 . . 120.9 ?
    C9 C8 H8 . . 120.9 ?
    C8 C9 C10 . . 123.1(5) ?
    C8 C9 Br1 . . 118.4(4) ?
    C10 C9 Br1 . . 118.5(4) ?
    C11 C10 C9 . . 119.6(5) ?
    C11 C10 H10 . . 120.2 ?
    C9 C10 H10 . . 120.2 ?
    C10 C11 C6 . . 118.1(4) ?
    C10 C11 Pt1 . . 128.2(4) ?
    C6 C11 Pt1 . . 113.7(4) ?
    C13 C12 H12A . . 109.5 ?
    C13 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C13 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    O1 C13 C14 . . 125.3(5) ?
    O1 C13 C12 . . 115.3(5) ?
    C14 C13 C12 . . 119.4(5) ?
    C15 C14 C13 . . 126.9(5) ?
    C15 C14 H14 . . 116.5 ?
    C13 C14 H14 . . 116.5 ?
    O2 C15 C14 . . 127.5(5) ?
    O2 C15 C16 . . 113.6(5) ?
    C14 C15 C16 . . 119.0(4) ?
    C15 C16 H16A . . 109.5 ?
    C15 C16 H16B . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    C15 C16 H16C . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    N2 C17 C18 . . 121.9(6) ?
    N2 C17 H17 . . 119.1 ?
    C18 C17 H17 . . 119.1 ?
    C17 C18 C19 . . 119.3(6) ?
    C17 C18 H18 . . 120.3 ?
    C19 C18 H18 . . 120.3 ?
    C18 C19 C20 . . 119.6(5) ?
    C18 C19 H19 . . 120.2 ?
    C20 C19 H19 . . 120.2 ?
    C19 C20 C21 . . 119.7(6) ?
    C19 C20 H20 . . 120.1 ?
    C21 C20 H20 . . 120.1 ?
    N2 C21 C20 . . 119.2(5) ?
    N2 C21 C22 . . 113.4(4) ?
    C20 C21 C22 . . 127.4(5) ?
    C23 C22 C27 . . 120.8(5) ?
    C23 C22 C21 . . 124.6(4) ?
    C27 C22 C21 . . 114.6(4) ?
    C24 C23 C22 . . 120.3(5) ?
    C24 C23 H23 . . 119.9 ?
    C22 C23 H23 . . 119.9 ?
    C23 C24 C25 . . 119.0(5) ?
    C23 C24 H24 . . 120.5 ?
    C25 C24 H24 . . 120.5 ?
    C24 C25 C26 . . 122.0(5) ?
    C24 C25 Br2 . . 118.9(4) ?
    C26 C25 Br2 . . 119.0(4) ?
    C27 C26 C25 . . 119.5(5) ?
    C27 C26 H26 . . 120.2 ?
    C25 C26 H26 . . 120.2 ?
    C26 C27 C22 . . 118.3(5) ?
    C26 C27 Pt2 . . 127.0(4) ?
    C22 C27 Pt2 . . 114.7(4) ?
    C29 C28 H28A . . 109.5 ?
    C29 C28 H28B . . 109.5 ?
    H28A C28 H28B . . 109.5 ?
    C29 C28 H28C . . 109.5 ?
    H28A C28 H28C . . 109.5 ?
    H28B C28 H28C . . 109.5 ?
    O3 C29 C30 . . 125.6(5) ?
    O3 C29 C28 . . 115.7(5) ?
    C30 C29 C28 . . 118.7(5) ?
    C31 C30 C29 . . 127.4(5) ?
    C31 C30 H30 . . 116.3 ?
    C29 C30 H30 . . 116.3 ?
    O4 C31 C30 . . 127.0(5) ?
    O4 C31 C32 . . 113.3(5) ?
    C30 C31 C32 . . 119.7(5) ?
    C31 C32 H32A . . 109.5 ?
    C31 C32 H32B . . 109.5 ?
    H32A C32 H32B . . 109.5 ?
    C31 C32 H32C . . 109.5 ?
    H32A C32 H32C . . 109.5 ?
    H32B C32 H32C . . 109.5 ?
    C1 N1 C5 . . 120.5(4) ?
    C1 N1 Pt1 . . 123.8(3) ?
    C5 N1 Pt1 . . 115.7(3) ?
    C17 N2 C21 . . 120.4(4) ?
    C17 N2 Pt2 . . 124.1(4) ?
    C21 N2 Pt2 . . 115.6(3) ?
    C13 O1 Pt1 . . 123.8(3) ?
    C15 O2 Pt1 . . 124.2(3) ?
    C29 O3 Pt2 . . 123.8(4) ?
    C31 O4 Pt2 . . 124.0(3) ?
    C11 Pt1 N1 . . 81.89(18) ?
    C11 Pt1 O2 . . 93.04(17) ?
    N1 Pt1 O2 . . 174.80(15) ?
    C11 Pt1 O1 . . 174.72(17) ?
    N1 Pt1 O1 . . 92.90(15) ?
    O2 Pt1 O1 . . 92.15(14) ?
    C27 Pt2 N2 . . 81.73(18) ?
    C27 Pt2 O4 . . 92.57(17) ?
    N2 Pt2 O4 . . 174.29(15) ?
    C27 Pt2 O3 . . 175.20(17) ?
    N2 Pt2 O3 . . 93.57(16) ?
    O4 Pt2 O3 . . 92.12(13) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N1 C1 C2 C3 . . . . -0.6(9) ?
    C1 C2 C3 C4 . . . . -0.2(9) ?
    C2 C3 C4 C5 . . . . 0.4(9) ?
    C3 C4 C5 N1 . . . . 0.1(7) ?
    C3 C4 C5 C6 . . . . 178.0(5) ?
    N1 C5 C6 C7 . . . . 178.2(4) ?
    C4 C5 C6 C7 . . . . 0.2(8) ?
    N1 C5 C6 C11 . . . . -2.2(6) ?
    C4 C5 C6 C11 . . . . 179.8(4) ?
    C11 C6 C7 C8 . . . . -0.4(7) ?
    C5 C6 C7 C8 . . . . 179.2(5) ?
    C6 C7 C8 C9 . . . . -0.6(8) ?
    C7 C8 C9 C10 . . . . 1.2(8) ?
    C7 C8 C9 Br1 . . . . -179.5(4) ?
    C8 C9 C10 C11 . . . . -0.9(8) ?
    Br1 C9 C10 C11 . . . . 179.8(3) ?
    C9 C10 C11 C6 . . . . -0.1(7) ?
    C9 C10 C11 Pt1 . . . . 179.7(4) ?
    C7 C6 C11 C10 . . . . 0.7(7) ?
    C5 C6 C11 C10 . . . . -178.9(4) ?
    C7 C6 C11 Pt1 . . . . -179.1(4) ?
    C5 C6 C11 Pt1 . . . . 1.3(5) ?
    O1 C13 C14 C15 . . . . -3.6(9) ?
    C12 C13 C14 C15 . . . . 175.8(5) ?
    C13 C14 C15 O2 . . . . 3.9(9) ?
    C13 C14 C15 C16 . . . . -174.6(5) ?
    N2 C17 C18 C19 . . . . 0.4(9) ?
    C17 C18 C19 C20 . . . . -0.1(9) ?
    C18 C19 C20 C21 . . . . 0.3(8) ?
    C19 C20 C21 N2 . . . . -0.6(8) ?
    C19 C20 C21 C22 . . . . -179.2(5) ?
    N2 C21 C22 C23 . . . . 179.7(4) ?
    C20 C21 C22 C23 . . . . -1.7(8) ?
    N2 C21 C22 C27 . . . . -0.6(6) ?
    C20 C21 C22 C27 . . . . 178.0(5) ?
    C27 C22 C23 C24 . . . . -2.6(7) ?
    C21 C22 C23 C24 . . . . 177.1(5) ?
    C22 C23 C24 C25 . . . . 0.6(8) ?
    C23 C24 C25 C26 . . . . 1.9(8) ?
    C23 C24 C25 Br2 . . . . -175.1(4) ?
    C24 C25 C26 C27 . . . . -2.4(8) ?
    Br2 C25 C26 C27 . . . . 174.6(4) ?
    C25 C26 C27 C22 . . . . 0.3(7) ?
    C25 C26 C27 Pt2 . . . . -178.7(4) ?
    C23 C22 C27 C26 . . . . 2.1(7) ?
    C21 C22 C27 C26 . . . . -177.6(4) ?
    C23 C22 C27 Pt2 . . . . -178.8(3) ?
    C21 C22 C27 Pt2 . . . . 1.5(5) ?
    O3 C29 C30 C31 . . . . -0.6(9) ?
    C28 C29 C30 C31 . . . . 179.8(5) ?
    C29 C30 C31 O4 . . . . 0.5(9) ?
    C29 C30 C31 C32 . . . . 178.3(5) ?
    C2 C1 N1 C5 . . . . 1.2(8) ?
    C2 C1 N1 Pt1 . . . . 179.9(4) ?
    C4 C5 N1 C1 . . . . -0.9(7) ?
    C6 C5 N1 C1 . . . . -179.1(4) ?
    C4 C5 N1 Pt1 . . . . -179.7(3) ?
    C6 C5 N1 Pt1 . . . . 2.1(5) ?
    C18 C17 N2 C21 . . . . -0.8(8) ?
    C18 C17 N2 Pt2 . . . . 179.5(4) ?
    C20 C21 N2 C17 . . . . 0.9(7) ?
    C22 C21 N2 C17 . . . . 179.7(4) ?
    C20 C21 N2 Pt2 . . . . -179.4(4) ?
    C22 C21 N2 Pt2 . . . . -0.6(5) ?
    C14 C13 O1 Pt1 . . . . 0.3(7) ?
    C12 C13 O1 Pt1 . . . . -179.0(4) ?
    C14 C15 O2 Pt1 . . . . -0.7(7) ?
    C16 C15 O2 Pt1 . . . . 177.9(3) ?
    C30 C29 O3 Pt2 . . . . -1.2(7) ?
    C28 C29 O3 Pt2 . . . . 178.4(3) ?
    C30 C31 O4 Pt2 . . . . 1.5(7) ?
    C32 C31 O4 Pt2 . . . . -176.5(4) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C1 H1 O1 . 0.95 2.40 2.999(7) 120.6 y
    C4 H4 O4 7_556 0.95 2.58 3.281(6) 130.9 y
    C17 H17 O3 . 0.95 2.45 3.034(6) 119.8 y
    C17 H17 Br1 8_456 0.95 2.87 3.693(6) 145.0 y
_shelxl_version_number        2.014
