##############################################################################
# #
# 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. #
# #
# Full details of the Crystallographic Information File format #
# 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 #
# ftp://ftp.iucr.org/pub/cif_core.dic. #
# #
# Software is freely available for graphical display of the structure(s) #
# in this CIF. For information consult the CIF software page #
# http://www.iucr.org/resources/cif/software. #
# #
# This file may be used for bona fide research purposes within the #
# scientific community so long as proper attribution is given to the journal #
# article from which it was obtained. #
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##############################################################################
data_I
_audit_creation_method SHELXL-97
_chemical_name_systematic
;
Dibromido(2,9-dimethyl-1,10-phenanthroline-\k^2^N,N')(dimethyl
sulfoxide-\kO)cadmium
;
_chemical_name_common ?
_chemical_formula_moiety 'C16 H18 Br2 Cd N2 O S'
_chemical_formula_sum 'C16 H18 Br2 Cd N2 O S'
_chemical_formula_iupac '[Cd Br2 (C14 H12 N2) (C2 H6 O S)]'
_chemical_formula_weight 558.60
_chemical_melting_point ?
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_space_group_name_Hall '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
_cell_length_a 8.1468(9)
_cell_length_b 17.3814(15)
_cell_length_c 13.6369(13)
_cell_angle_alpha 90.00
_cell_angle_beta 95.724(9)
_cell_angle_gamma 90.00
_cell_volume 1921.4(3)
_cell_formula_units_Z 4
_cell_measurement_reflns_used 15831
_cell_measurement_theta_min 1.90
_cell_measurement_theta_max 25.99
_cell_measurement_temperature 298(2)
_exptl_crystal_description Block
_exptl_crystal_colour Colorless
_exptl_crystal_size_max 0.42
_exptl_crystal_size_mid 0.22
_exptl_crystal_size_min 0.17
_exptl_crystal_density_diffrn 1.936
_exptl_crystal_density_method 'not measured'
_exptl_crystal_F_000 1080
_exptl_absorpt_coefficient_mu 5.423
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details '(SADABS; Bruker, 2001)'
_exptl_absorpt_correction_T_min 0.2215
_exptl_absorpt_correction_T_max 0.3245
_exptl_special_details ?
_diffrn_ambient_temperature 298(2)
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_radiation_source 'fine-focus sealed tube'
_diffrn_radiation_monochromator graphite
_diffrn_measurement_device_type 'Bruker APEXII CCD'
_diffrn_measurement_method '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number 15831
_diffrn_reflns_av_R_equivalents 0.1082
_diffrn_reflns_av_sigmaI/netI 0.0850
_diffrn_reflns_theta_min 1.90
_diffrn_reflns_theta_max 25.99
_diffrn_reflns_theta_full 25.99
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_limit_h_min -10
_diffrn_reflns_limit_h_max 10
_diffrn_reflns_limit_k_min -21
_diffrn_reflns_limit_k_max 21
_diffrn_reflns_limit_l_min -15
_diffrn_reflns_limit_l_max 16
_diffrn_standards_number ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time ?
_diffrn_standards_decay_% ?
_refine_special_details
;
Refinement of F^2^ against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F^2^, conventional
R-factors R are based on F, with F set to zero for
negative F^2^. The threshold expression of F^2^ >
\s(F^2^) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F^2^ are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total 3766
_reflns_number_gt 2196
_reflns_threshold_expression I>2\s(I)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type full
_refine_ls_R_factor_all 0.1104
_refine_ls_R_factor_gt 0.0571
_refine_ls_wR_factor_gt 0.1131
_refine_ls_wR_factor_ref 0.1274
_refine_ls_goodness_of_fit_ref 0.942
_refine_ls_restrained_S_all 0.942
_refine_ls_number_reflns 3766
_refine_ls_number_parameters 208
_refine_ls_number_restraints 0
_refine_ls_hydrogen_treatment constr
_refine_ls_weighting_scheme calc
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0620P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_hydrogens geom
_atom_sites_solution_primary direct
_atom_sites_solution_secondary difmap
_refine_ls_shift/su_max 0.004
_refine_ls_shift/su_mean 0.000
_refine_diff_density_max 1.019
_refine_diff_density_min -1.056
_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'
'Cd' 'Cd' -0.8075 1.2024
'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'
'S' 'S' 0.1246 0.1234
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection 'APEX2 (Bruker, 2007)'
_computing_cell_refinement 'SAINT (Bruker, 2007)'
_computing_data_reduction 'SAINT (Bruker, 2007)'
_computing_structure_solution 'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement 'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 2012) and Mercury
(Macrae et al., 2006)
;
_computing_publication_material 'SHELXL97 (Sheldrick, 2008)'
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_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 -0.0593(14) 0.2673(6) 0.8844(10) 0.096(4) Uani d . 1 1 . .
H H1A 0.0219 0.2463 0.8456 0.115 Uiso calc R 1 1 . .
H H1B -0.1421 0.2938 0.8423 0.115 Uiso calc R 1 1 . .
H H1C -0.1097 0.2263 0.9180 0.115 Uiso calc R 1 1 . .
C C2 0.0215(11) 0.3221(5) 0.9583(8) 0.064(3) Uani d . 1 1 . .
C C3 0.0114(13) 0.3105(7) 1.0594(10) 0.085(4) Uani d . 1 1 . .
H H3 -0.0431 0.2677 1.0810 0.102 Uiso calc R 1 1 . .
C C4 0.0811(14) 0.3619(8) 1.1251(9) 0.085(3) Uani d . 1 1 . .
H H4 0.0748 0.3545 1.1921 0.102 Uiso calc R 1 1 . .
C C5 0.1625(11) 0.4262(6) 1.0924(7) 0.062(2) Uani d . 1 1 . .
C C6 0.2357(14) 0.4818(7) 1.1589(7) 0.075(3) Uani d . 1 1 . .
H H6 0.2307 0.4759 1.2263 0.090 Uiso calc R 1 1 . .
C C7 0.3105(13) 0.5414(7) 1.1252(7) 0.076(3) Uani d . 1 1 . .
H H7 0.3584 0.5773 1.1699 0.091 Uiso calc R 1 1 . .
C C8 0.3216(9) 0.5535(5) 1.0220(6) 0.051(2) Uani d . 1 1 . .
C C9 0.3992(11) 0.6171(6) 0.9837(8) 0.068(3) Uani d . 1 1 . .
H H9 0.4516 0.6532 1.0264 0.082 Uiso calc R 1 1 . .
C C10 0.3987(11) 0.6265(5) 0.8869(9) 0.070(3) Uani d . 1 1 . .
H H10 0.4490 0.6692 0.8617 0.084 Uiso calc R 1 1 . .
C C11 0.3206(11) 0.5706(5) 0.8227(7) 0.059(2) Uani d . 1 1 . .
C C12 0.3144(15) 0.5823(6) 0.7120(8) 0.089(4) Uani d . 1 1 . .
H H12A 0.2016 0.5831 0.6839 0.107 Uiso calc R 1 1 . .
H H12B 0.3717 0.5410 0.6834 0.107 Uiso calc R 1 1 . .
H H12C 0.3660 0.6304 0.6987 0.107 Uiso calc R 1 1 . .
C C13 0.2514(9) 0.4992(4) 0.9535(6) 0.0415(18) Uani d . 1 1 . .
C C14 0.1699(9) 0.4338(5) 0.9909(6) 0.048(2) Uani d . 1 1 . .
C C15 0.5347(12) 0.3392(7) 0.5318(8) 0.091(4) Uani d . 1 1 . .
H H15A 0.5942 0.3188 0.5904 0.110 Uiso calc R 1 1 . .
H H15B 0.5888 0.3848 0.5118 0.110 Uiso calc R 1 1 . .
H H15C 0.5318 0.3015 0.4801 0.110 Uiso calc R 1 1 . .
C C16 0.2687(17) 0.4141(8) 0.4484(8) 0.105(4) Uani d . 1 1 . .
H H16A 0.3515 0.4513 0.4365 0.126 Uiso calc R 1 1 . .
H H16B 0.1670 0.4400 0.4568 0.126 Uiso calc R 1 1 . .
H H16C 0.2524 0.3796 0.3933 0.126 Uiso calc R 1 1 . .
N N1 0.0990(8) 0.3812(4) 0.9263(5) 0.0505(17) Uani d . 1 1 . .
N N2 0.2556(7) 0.5071(3) 0.8554(4) 0.0434(15) Uani d . 1 1 . .
O O1 0.3558(8) 0.4221(4) 0.6386(4) 0.0707(17) Uani d . 1 1 . .
Cd Cd1 0.18778(7) 0.39536(3) 0.76580(4) 0.04942(19) Uani d . 1 1 . .
Br Br1 -0.07113(13) 0.39818(7) 0.64445(8) 0.0862(4) Uani d . 1 1 . .
Br Br2 0.36845(12) 0.27030(5) 0.79524(7) 0.0636(3) Uani d . 1 1 . .
S S1 0.3331(3) 0.36172(15) 0.55550(18) 0.0659(6) Uani d . 1 1 . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
C1 0.072(7) 0.067(7) 0.154(12) -0.016(6) 0.041(7) 0.003(7)
C2 0.055(5) 0.044(5) 0.093(8) 0.007(4) 0.017(5) 0.013(5)
C3 0.070(7) 0.075(8) 0.118(10) 0.024(6) 0.052(7) 0.047(7)
C4 0.086(8) 0.104(9) 0.068(7) 0.038(7) 0.025(6) 0.032(7)
C5 0.062(6) 0.075(6) 0.052(6) 0.029(5) 0.021(5) 0.019(5)
C6 0.091(8) 0.088(8) 0.047(6) 0.038(7) 0.011(5) 0.014(6)
C7 0.081(7) 0.093(9) 0.050(6) 0.038(6) -0.010(5) -0.025(5)
C8 0.042(4) 0.049(5) 0.061(6) 0.010(4) 0.005(4) -0.013(4)
C9 0.055(5) 0.069(7) 0.080(7) 0.010(5) 0.004(5) -0.028(5)
C10 0.057(6) 0.051(6) 0.106(9) -0.001(4) 0.025(6) -0.021(5)
C11 0.064(6) 0.043(5) 0.076(6) 0.007(4) 0.033(5) -0.007(4)
C12 0.140(10) 0.049(6) 0.087(8) -0.008(6) 0.050(8) 0.014(5)
C13 0.035(4) 0.042(5) 0.048(5) 0.009(3) 0.004(3) -0.006(3)
C14 0.037(4) 0.055(5) 0.052(5) 0.023(4) 0.011(4) 0.002(4)
C15 0.072(7) 0.109(10) 0.091(8) 0.012(6) 0.003(6) -0.037(7)
C16 0.123(10) 0.116(11) 0.073(8) 0.033(8) -0.006(7) 0.006(7)
N1 0.040(4) 0.050(4) 0.062(5) 0.007(3) 0.011(3) 0.008(3)
N2 0.049(4) 0.041(4) 0.043(4) 0.001(3) 0.018(3) -0.004(3)
O1 0.090(5) 0.066(4) 0.058(4) -0.004(3) 0.016(3) -0.011(3)
Cd1 0.0506(3) 0.0497(3) 0.0470(3) 0.0041(3) 0.0002(2) -0.0050(3)
Br1 0.0643(6) 0.0998(9) 0.0882(8) 0.0266(6) -0.0238(5) -0.0290(6)
Br2 0.0725(6) 0.0576(6) 0.0593(6) 0.0198(5) -0.0008(4) -0.0025(4)
S1 0.0765(16) 0.0627(15) 0.0587(15) -0.0006(12) 0.0080(12) -0.0057(11)
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
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
C1 C2 . 1.491(15) ?
C1 H1A . 0.9600 ?
C1 H1B . 0.9600 ?
C1 H1C . 0.9600 ?
C2 N1 . 1.304(10) ?
C2 C3 . 1.404(14) ?
C3 C4 . 1.349(16) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.395(15) ?
C4 H4 . 0.9300 ?
C5 C14 . 1.398(11) ?
C5 C6 . 1.415(15) ?
C6 C7 . 1.309(14) ?
C6 H6 . 0.9300 ?
C7 C8 . 1.435(13) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.399(13) ?
C8 C13 . 1.409(11) ?
C9 C10 . 1.330(14) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.416(13) ?
C10 H10 . 0.9300 ?
C11 N2 . 1.321(10) ?
C11 C12 . 1.519(13) ?
C12 H12A . 0.9600 ?
C12 H12B . 0.9600 ?
C12 H12C . 0.9600 ?
C13 N2 . 1.349(9) ?
C13 C14 . 1.435(11) ?
C14 N1 . 1.358(11) ?
C15 S1 . 1.750(10) ?
C15 H15A . 0.9600 ?
C15 H15B . 0.9600 ?
C15 H15C . 0.9600 ?
C16 S1 . 1.757(11) ?
C16 H16A . 0.9600 ?
C16 H16B . 0.9600 ?
C16 H16C . 0.9600 ?
Cd1 N1 . 2.386(6) y
Cd1 N2 . 2.331(6) y
O1 S1 . 1.542(6) ?
Cd1 O1 . 2.361(6) y
Cd1 Br1 . 2.5483(11) y
Cd1 Br2 . 2.6335(11) 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
C2 C1 H1A . . 109.5 ?
C2 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
C2 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
N1 C2 C3 . . 121.3(10) ?
N1 C2 C1 . . 118.3(9) ?
C3 C2 C1 . . 120.4(10) ?
C4 C3 C2 . . 119.7(10) ?
C4 C3 H3 . . 120.2 ?
C2 C3 H3 . . 120.2 ?
C3 C4 C5 . . 120.0(10) ?
C3 C4 H4 . . 120.0 ?
C5 C4 H4 . . 120.0 ?
C4 C5 C14 . . 117.5(10) ?
C4 C5 C6 . . 121.7(10) ?
C14 C5 C6 . . 120.8(9) ?
C7 C6 C5 . . 119.8(9) ?
C7 C6 H6 . . 120.1 ?
C5 C6 H6 . . 120.1 ?
C6 C7 C8 . . 122.5(10) ?
C6 C7 H7 . . 118.7 ?
C8 C7 H7 . . 118.7 ?
C9 C8 C13 . . 116.8(8) ?
C9 C8 C7 . . 123.8(9) ?
C13 C8 C7 . . 119.4(9) ?
C10 C9 C8 . . 120.7(9) ?
C10 C9 H9 . . 119.6 ?
C8 C9 H9 . . 119.6 ?
C9 C10 C11 . . 119.0(9) ?
C9 C10 H10 . . 120.5 ?
C11 C10 H10 . . 120.5 ?
N2 C11 C10 . . 122.4(9) ?
N2 C11 C12 . . 118.2(8) ?
C10 C11 C12 . . 119.3(9) ?
C11 C12 H12A . . 109.5 ?
C11 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C11 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
N2 C13 C8 . . 122.7(7) ?
N2 C13 C14 . . 119.4(7) ?
C8 C13 C14 . . 117.8(7) ?
N1 C14 C5 . . 121.4(8) ?
N1 C14 C13 . . 119.0(7) ?
C5 C14 C13 . . 119.7(8) ?
S1 C15 H15A . . 109.5 ?
S1 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
S1 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
S1 C16 H16A . . 109.5 ?
S1 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
S1 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C2 N1 C14 . . 120.2(8) ?
C2 N1 Cd1 . . 126.1(6) ?
C14 N1 Cd1 . . 112.2(5) ?
C11 N2 C13 . . 118.0(7) ?
C11 N2 Cd1 . . 127.0(5) ?
C13 N2 Cd1 . . 114.0(5) ?
S1 O1 Cd1 . . 111.7(3) ?
N2 Cd1 O1 . . 95.5(2) ?
N2 Cd1 N1 . . 71.5(2) ?
O1 Cd1 N1 . . 161.0(2) ?
N2 Cd1 Br1 . . 117.50(16) ?
O1 Cd1 Br1 . . 91.26(17) ?
N1 Cd1 Br1 . . 106.91(16) ?
N2 Cd1 Br2 . . 120.54(16) ?
O1 Cd1 Br2 . . 85.32(17) ?
N1 Cd1 Br2 . . 89.49(15) ?
Br1 Cd1 Br2 . . 121.92(4) ?
O1 S1 C15 . . 104.0(5) ?
O1 S1 C16 . . 105.2(5) ?
C15 S1 C16 . . 99.8(6) ?
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 C2 C3 C4 . . . . 0.9(14) ?
C1 C2 C3 C4 . . . . -178.1(10) ?
C2 C3 C4 C5 . . . . 0.1(15) ?
C3 C4 C5 C14 . . . . -0.8(14) ?
C3 C4 C5 C6 . . . . 179.4(9) ?
C4 C5 C6 C7 . . . . -179.8(9) ?
C14 C5 C6 C7 . . . . 0.4(14) ?
C5 C6 C7 C8 . . . . 0.2(15) ?
C6 C7 C8 C9 . . . . 179.3(9) ?
C6 C7 C8 C13 . . . . -0.7(13) ?
C13 C8 C9 C10 . . . . 3.0(12) ?
C7 C8 C9 C10 . . . . -177.0(8) ?
C8 C9 C10 C11 . . . . -1.0(13) ?
C9 C10 C11 N2 . . . . -3.7(13) ?
C9 C10 C11 C12 . . . . 177.9(9) ?
C9 C8 C13 N2 . . . . -0.6(11) ?
C7 C8 C13 N2 . . . . 179.4(7) ?
C9 C8 C13 C14 . . . . -179.5(7) ?
C7 C8 C13 C14 . . . . 0.5(10) ?
C4 C5 C14 N1 . . . . 0.7(11) ?
C6 C5 C14 N1 . . . . -179.5(8) ?
C4 C5 C14 C13 . . . . 179.6(8) ?
C6 C5 C14 C13 . . . . -0.6(11) ?
N2 C13 C14 N1 . . . . 0.2(10) ?
C8 C13 C14 N1 . . . . 179.0(6) ?
N2 C13 C14 C5 . . . . -178.8(7) ?
C8 C13 C14 C5 . . . . 0.1(10) ?
C3 C2 N1 C14 . . . . -1.0(12) ?
C1 C2 N1 C14 . . . . 177.9(8) ?
C3 C2 N1 Cd1 . . . . 163.7(6) ?
C1 C2 N1 Cd1 . . . . -17.3(11) ?
C5 C14 N1 C2 . . . . 0.2(11) ?
C13 C14 N1 C2 . . . . -178.7(7) ?
C5 C14 N1 Cd1 . . . . -166.5(6) ?
C13 C14 N1 Cd1 . . . . 14.6(8) ?
C10 C11 N2 C13 . . . . 6.0(11) ?
C12 C11 N2 C13 . . . . -175.7(8) ?
C10 C11 N2 Cd1 . . . . -162.1(6) ?
C12 C11 N2 Cd1 . . . . 16.2(11) ?
C8 C13 N2 C11 . . . . -3.7(10) ?
C14 C13 N2 C11 . . . . 175.0(7) ?
C8 C13 N2 Cd1 . . . . 165.9(5) ?
C14 C13 N2 Cd1 . . . . -15.3(8) ?
C11 N2 Cd1 O1 . . . . 19.0(7) ?
C13 N2 Cd1 O1 . . . . -149.5(5) ?
C11 N2 Cd1 N1 . . . . -175.2(7) ?
C13 N2 Cd1 N1 . . . . 16.3(5) ?
C11 N2 Cd1 Br1 . . . . -75.4(7) ?
C13 N2 Cd1 Br1 . . . . 116.1(5) ?
C11 N2 Cd1 Br2 . . . . 106.8(7) ?
C13 N2 Cd1 Br2 . . . . -61.7(5) ?
S1 O1 Cd1 N2 . . . . -175.0(4) ?
S1 O1 Cd1 N1 . . . . 139.3(6) ?
S1 O1 Cd1 Br1 . . . . -57.2(4) ?
S1 O1 Cd1 Br2 . . . . 64.7(4) ?
C2 N1 Cd1 N2 . . . . 178.3(7) ?
C14 N1 Cd1 N2 . . . . -15.9(5) ?
C2 N1 Cd1 O1 . . . . -133.1(8) ?
C14 N1 Cd1 O1 . . . . 32.7(10) ?
C2 N1 Cd1 Br1 . . . . 64.2(7) ?
C14 N1 Cd1 Br1 . . . . -130.0(5) ?
C2 N1 Cd1 Br2 . . . . -59.1(7) ?
C14 N1 Cd1 Br2 . . . . 106.7(5) ?
Cd1 O1 S1 C15 . . . . -134.0(5) ?
Cd1 O1 S1 C16 . . . . 121.6(5) ?
data_global
_journal_date_recd_electronic 2012-12-03
_journal_date_accepted 2012-12-07
_journal_name_full 'Acta Crystallographica, Section E'
_journal_year 2013
_journal_volume 69
_journal_issue 1
_journal_page_first m49
_journal_page_last m49
_journal_paper_category QM
_journal_paper_doi 10.1107/S1600536812050106
_journal_coeditor_code HY2608
_publ_contact_author_name 'Moghanlou, Khadijeh'
_publ_contact_author_address
;
Department of Chemistry
North Tehran Branch
Islamic Azad University
Tehran
Iran
;
_publ_contact_author_email 'k_moghanlou@yahoo.com'
_publ_contact_author_fax '0098 021 22222667'
_publ_contact_author_phone '0098 021 22262563'
_publ_section_title
;
Dibromido(2,9-dimethyl-1,10-phenanthroline-\k^2^N,N')(dimethyl
sulfoxide-\kO)cadmium
;
loop_
_publ_author_name
_publ_author_address
'Moghanlou, Khadijeh'
;
Department of Chemistry
North Tehran Branch
Islamic Azad University
Tehran
Iran
;