##############################################################################
# #
# 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
;
Bis{2-[2,5-bis(pyridin-2-yl)-1H-imidazol-4-yl]pyridinium}
tetracyanidoplatinate(II) tetrahydrate
;
_chemical_name_common ?
_chemical_formula_moiety '2(C18 H14 N5 +), C4 N4 Pt 2-, 4(H2 O)'
_chemical_formula_sum 'C40 H36 N14 O4 Pt'
_chemical_formula_iupac '(C18 H14 N5)2 [Pt (C N)4], 4H2 O'
_chemical_formula_weight 971.92
_chemical_melting_point ?
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_space_group_name_Hall '-C 2yc'
loop_
_symmetry_equiv_pos_as_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 20.958(5)
_cell_length_b 12.048(3)
_cell_length_c 15.403(3)
_cell_angle_alpha 90.00
_cell_angle_beta 95.483(3)
_cell_angle_gamma 90.00
_cell_volume 3871.6(14)
_cell_formula_units_Z 4
_cell_measurement_reflns_used 9440
_cell_measurement_theta_min 2.30
_cell_measurement_theta_max 27.71
_cell_measurement_temperature 100(2)
_exptl_crystal_description 'rectangular prism'
_exptl_crystal_colour yellow
_exptl_crystal_size_max 0.50
_exptl_crystal_size_mid 0.34
_exptl_crystal_size_min 0.28
_exptl_crystal_density_diffrn 1.667
_exptl_crystal_density_meas ?
_exptl_crystal_density_method 'not measured'
_exptl_crystal_F_000 1936
_exptl_absorpt_coefficient_mu 3.687
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min 0.26
_exptl_absorpt_correction_T_max 0.43
_exptl_special_details
;
IR and TGA details for the title compound: IR(KBr, cm^-1^): 3406, 3385, 3268,
3100, 2129, 1661, 1596, 1501, 1447, 1235, 1139, 1096, 777, 703. TGA: Calcd.
for 4H~2~O: 7.42. Found: 7.69% (298 - 385 K).
;
_diffrn_ambient_temperature 100(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 SMART CCD area detector'
_diffrn_measurement_method 'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number 17095
_diffrn_reflns_av_R_equivalents 0.0657
_diffrn_reflns_av_sigmaI/netI 0.0409
_diffrn_reflns_theta_min 1.95
_diffrn_reflns_theta_max 25.00
_diffrn_reflns_theta_full 25.00
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min -24
_diffrn_reflns_limit_h_max 24
_diffrn_reflns_limit_k_min -14
_diffrn_reflns_limit_k_max 14
_diffrn_reflns_limit_l_min -18
_diffrn_reflns_limit_l_max 18
_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 3418
_reflns_number_gt 2726
_reflns_threshold_expression I>2sigma(I)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type full
_refine_ls_R_factor_all 0.0377
_refine_ls_R_factor_gt 0.0318
_refine_ls_wR_factor_gt 0.0770
_refine_ls_wR_factor_ref 0.0782
_refine_ls_goodness_of_fit_ref 1.000
_refine_ls_restrained_S_all 0.998
_refine_ls_number_reflns 3418
_refine_ls_number_parameters 286
_refine_ls_number_restraints 8
_refine_ls_hydrogen_treatment mixed
_refine_ls_weighting_scheme calc
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0497P)^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 0.000
_refine_ls_shift/su_mean 0.000
_refine_diff_density_max 3.101
_refine_diff_density_min -2.265
_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'
'Pt' 'Pt' -1.7033 8.3905
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection 'SMART (Bruker, 2001)'
_computing_cell_refinement 'SAINT-Plus (Bruker 2001)'
_computing_data_reduction 'SAINT-Plus (Bruker 2001)'
_computing_structure_solution 'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement 'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae et al., 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2010)'
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
Pt Pt1 0.2500 0.7500 0.5000 0.01672(10) Uani d S 1 2 . .
N N1 0.96962(15) 1.0885(2) 0.10252(19) 0.0173(7) Uani d D 1 1 . .
H H1' 0.973(2) 1.1564(9) 0.114(3) 0.026 Uiso d D 1 1 . .
N N2 0.92075(14) 0.9356(2) 0.05054(18) 0.0179(7) Uani d . 1 1 . .
N N3 0.87601(18) 1.2211(3) -0.0001(2) 0.0226(8) Uani d . 1 1 . .
N N4 1.09913(14) 0.9336(2) 0.22311(18) 0.0171(7) Uani d . 1 1 . .
N N5 1.03998(19) 0.7543(2) 0.1645(2) 0.0189(8) Uani d D 1 1 . .
H H5' 1.0631(17) 0.798(3) 0.196(2) 0.028 Uiso d D 1 1 . .
N N6 0.31880(15) 0.8613(3) 0.6676(2) 0.0256(8) Uani d . 1 1 . .
N N7 0.32877(17) 0.9085(3) 0.3882(2) 0.0320(8) Uani d . 1 1 . .
C C1 0.91839(17) 1.0457(3) 0.0535(2) 0.0181(8) Uani d . 1 1 . .
C C2 1.00799(17) 1.0022(3) 0.1331(2) 0.0168(8) Uani d . 1 1 . .
C C3 0.97619(18) 0.9069(3) 0.1007(2) 0.0170(9) Uani d . 1 1 . .
C C4 0.86797(17) 1.1094(3) 0.0042(2) 0.0188(8) Uani d . 1 1 . .
C C5 0.81594(17) 1.0555(3) -0.0383(2) 0.0238(9) Uani d . 1 1 . .
H H5 0.8109 0.9777 -0.0321 0.029 Uiso calc R 1 1 . .
C C6 0.77141(19) 1.1165(3) -0.0900(2) 0.0286(10) Uani d . 1 1 . .
H H6 0.7355 1.0812 -0.1206 0.034 Uiso calc R 1 1 . .
C C7 0.7798(3) 1.2285(4) -0.0962(3) 0.0325(11) Uani d . 1 1 . .
H H7 0.7502 1.2718 -0.1325 0.039 Uiso calc R 1 1 . .
C C8 0.8316(2) 1.2785(4) -0.0496(3) 0.0290(10) Uani d . 1 1 . .
H H8 0.8358 1.3568 -0.0528 0.035 Uiso calc R 1 1 . .
C C9 1.07022(17) 1.0222(3) 0.1828(2) 0.0172(8) Uani d . 1 1 . .
C C10 1.09906(18) 1.1263(3) 0.1866(2) 0.0201(8) Uani d . 1 1 . .
H H10 1.0780 1.1884 0.1588 0.024 Uiso calc R 1 1 . .
C C11 1.15875(19) 1.1376(3) 0.2316(2) 0.0218(9) Uani d . 1 1 . .
H H11 1.1794 1.2079 0.2344 0.026 Uiso calc R 1 1 . .
C C12 1.18881(19) 1.0470(3) 0.2727(2) 0.0225(9) Uani d . 1 1 . .
H H12 1.2301 1.0535 0.3037 0.027 Uiso calc R 1 1 . .
C C13 1.15672(18) 0.9468(3) 0.2671(2) 0.0218(9) Uani d . 1 1 . .
H H13 1.1765 0.8842 0.2959 0.026 Uiso calc R 1 1 . .
C C14 0.99006(18) 0.7888(3) 0.1090(2) 0.0155(8) Uani d . 1 1 . .
C C15 0.95298(19) 0.7094(3) 0.0622(2) 0.0196(9) Uani d . 1 1 . .
H H15 0.9177 0.7314 0.0226 0.023 Uiso calc R 1 1 . .
C C16 0.9678(2) 0.5986(3) 0.0734(3) 0.0241(9) Uani d . 1 1 . .
H H16 0.9424 0.5439 0.0420 0.029 Uiso calc R 1 1 . .
C C17 1.01988(19) 0.5669(3) 0.1306(2) 0.0230(9) Uani d . 1 1 . .
H H17 1.0306 0.4907 0.1386 0.028 Uiso calc R 1 1 . .
C C18 1.05545(19) 0.6473(3) 0.1752(2) 0.0215(9) Uani d . 1 1 . .
H H18 1.0914 0.6269 0.2141 0.026 Uiso calc R 1 1 . .
C C19 0.29365(18) 0.8199(3) 0.6075(2) 0.0204(9) Uani d . 1 1 . .
C C20 0.29937(19) 0.8513(3) 0.4291(2) 0.0220(9) Uani d . 1 1 . .
O O31 0.96490(15) 0.3159(2) 0.1280(2) 0.0341(7) Uani d D 1 1 . .
H H31A 0.9379(13) 0.310(4) 0.0842(14) 0.051 Uiso d D 1 1 . .
H H32A 0.1394(19) 0.481(2) 0.304(2) 0.051 Uiso d D 1 1 . .
O O32 0.12373(15) 0.4241(2) 0.27892(18) 0.0324(7) Uani d D 1 1 . .
H H31B 0.9448(15) 0.334(4) 0.1704(15) 0.049 Uiso d D 1 1 . .
H H32B 0.135(2) 0.426(3) 0.2280(11) 0.049 Uiso d 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
Pt1 0.01960(15) 0.01288(15) 0.01807(14) 0.00058(8) 0.00385(8) -0.00070(7)
N1 0.0203(18) 0.0123(16) 0.0202(16) 0.0003(15) 0.0066(13) -0.0003(14)
N2 0.0202(18) 0.0155(17) 0.0191(16) -0.0003(14) 0.0083(13) 0.0013(13)
N3 0.027(2) 0.0138(16) 0.029(2) 0.0015(16) 0.0114(15) 0.0038(15)
N4 0.0224(18) 0.0111(16) 0.0184(16) 0.0006(14) 0.0048(13) 0.0000(13)
N5 0.021(2) 0.016(2) 0.0201(19) -0.0058(14) 0.0047(14) -0.0014(13)
N6 0.026(2) 0.0281(19) 0.0228(18) -0.0027(16) 0.0053(15) -0.0046(15)
N7 0.035(2) 0.031(2) 0.031(2) -0.0065(17) 0.0077(16) 0.0025(16)
C1 0.019(2) 0.018(2) 0.0183(19) 0.0004(17) 0.0099(16) 0.0001(16)
C2 0.022(2) 0.013(2) 0.0169(19) 0.0014(17) 0.0098(15) 0.0005(16)
C3 0.020(2) 0.018(2) 0.0152(19) -0.0019(17) 0.0090(16) 0.0016(16)
C4 0.020(2) 0.018(2) 0.0200(19) 0.0058(17) 0.0117(16) 0.0013(16)
C5 0.023(2) 0.024(2) 0.025(2) -0.0002(19) 0.0073(17) -0.0027(17)
C6 0.026(2) 0.030(2) 0.030(2) 0.006(2) 0.0015(17) -0.0021(19)
C7 0.033(3) 0.034(3) 0.030(3) 0.011(2) 0.002(2) 0.006(2)
C8 0.035(3) 0.021(2) 0.033(3) 0.005(2) 0.014(2) 0.008(2)
C9 0.022(2) 0.016(2) 0.0156(19) 0.0004(17) 0.0100(15) -0.0019(15)
C10 0.028(2) 0.0115(19) 0.022(2) 0.0001(18) 0.0067(16) 0.0003(16)
C11 0.025(2) 0.015(2) 0.026(2) -0.0034(18) 0.0045(17) -0.0038(17)
C12 0.026(2) 0.019(2) 0.022(2) -0.0032(18) 0.0025(17) -0.0033(17)
C13 0.028(2) 0.017(2) 0.021(2) 0.0022(18) 0.0054(17) 0.0052(16)
C14 0.018(2) 0.0142(17) 0.016(2) -0.0009(18) 0.0092(16) 0.0017(16)
C15 0.021(2) 0.0181(19) 0.020(2) 0.0000(19) 0.0057(16) 0.0009(17)
C16 0.029(2) 0.019(2) 0.025(2) -0.0070(19) 0.0061(18) -0.0042(17)
C17 0.028(2) 0.012(2) 0.030(2) -0.0029(19) 0.0095(18) 0.0008(17)
C18 0.025(2) 0.018(2) 0.023(2) -0.0006(18) 0.0058(16) 0.0064(17)
C19 0.024(2) 0.019(2) 0.020(2) 0.0026(18) 0.0069(17) 0.0014(17)
C20 0.025(2) 0.019(2) 0.022(2) -0.0011(18) 0.0024(17) -0.0068(17)
O31 0.0371(19) 0.0219(17) 0.0444(19) -0.0019(15) 0.0096(14) -0.0049(15)
O32 0.046(2) 0.0254(16) 0.0277(16) -0.0057(15) 0.0115(14) -0.0006(13)
_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
Pt1 C20 . 1.992(4) ?
Pt1 C20 7_566 1.992(4) ?
Pt1 C19 . 2.000(4) ?
Pt1 C19 7_566 2.000(4) ?
N1 C1 . 1.354(5) ?
N1 C2 . 1.370(5) ?
N1 H1' . 0.8400(11) ?
N2 C1 . 1.328(4) ?
N2 C3 . 1.377(5) ?
N3 C8 . 1.338(6) ?
N3 C4 . 1.358(5) ?
N4 C13 . 1.336(5) ?
N4 C9 . 1.349(4) ?
N5 C18 . 1.336(4) ?
N5 C14 . 1.351(6) ?
N5 H5' . 0.8400(11) ?
N6 C19 . 1.135(5) ?
N7 C20 . 1.151(4) ?
C1 C4 . 1.459(5) ?
C2 C3 . 1.396(5) ?
C2 C9 . 1.467(5) ?
C3 C14 . 1.455(5) ?
C4 C5 . 1.380(5) ?
C5 C6 . 1.379(5) ?
C5 H5 . 0.9500 ?
C6 C7 . 1.365(5) ?
C6 H6 . 0.9500 ?
C7 C8 . 1.381(7) ?
C7 H7 . 0.9500 ?
C8 H8 . 0.9500 ?
C9 C10 . 1.391(5) ?
C10 C11 . 1.378(5) ?
C10 H10 . 0.9500 ?
C11 C12 . 1.383(5) ?
C11 H11 . 0.9500 ?
C12 C13 . 1.381(5) ?
C12 H12 . 0.9500 ?
C13 H13 . 0.9500 ?
C14 C15 . 1.391(6) ?
C15 C16 . 1.377(6) ?
C15 H15 . 0.9500 ?
C16 C17 . 1.390(6) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.367(5) ?
C17 H17 . 0.9500 ?
C18 H18 . 0.9500 ?
O31 H31A . 0.8401(11) ?
O31 H31B . 0.8400(11) ?
O32 H32A . 0.8401(11) ?
O32 H32B . 0.8400(11) ?
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
C20 Pt1 C20 . 7_566 180.00(17) ?
C20 Pt1 C19 . . 88.59(15) ?
C20 Pt1 C19 7_566 . 91.41(14) ?
C20 Pt1 C19 . 7_566 91.41(14) ?
C20 Pt1 C19 7_566 7_566 88.59(15) ?
C19 Pt1 C19 . 7_566 180.0000(10)
?
C1 N1 C2 . . 108.2(3) ?
C1 N1 H1' . . 123(3) ?
C2 N1 H1' . . 129(3) ?
C1 N2 C3 . . 105.3(3) ?
C8 N3 C4 . . 117.2(4) ?
C13 N4 C9 . . 118.9(3) ?
C18 N5 C14 . . 122.6(4) ?
C18 N5 H5' . . 115(3) ?
C14 N5 H5' . . 123(3) ?
N2 C1 N1 . . 111.6(3) ?
N2 C1 C4 . . 122.3(3) ?
N1 C1 C4 . . 125.9(3) ?
N1 C2 C3 . . 104.9(3) ?
N1 C2 C9 . . 121.2(3) ?
C3 C2 C9 . . 133.8(3) ?
N2 C3 C2 . . 110.0(3) ?
N2 C3 C14 . . 116.5(3) ?
C2 C3 C14 . . 133.5(4) ?
N3 C4 C5 . . 122.6(4) ?
N3 C4 C1 . . 117.4(3) ?
C5 C4 C1 . . 120.0(3) ?
C6 C5 C4 . . 118.9(4) ?
C6 C5 H5 . . 120.5 ?
C4 C5 H5 . . 120.5 ?
C7 C6 C5 . . 118.8(4) ?
C7 C6 H6 . . 120.6 ?
C5 C6 H6 . . 120.6 ?
C6 C7 C8 . . 119.6(5) ?
C6 C7 H7 . . 120.2 ?
C8 C7 H7 . . 120.2 ?
N3 C8 C7 . . 122.7(4) ?
N3 C8 H8 . . 118.6 ?
C7 C8 H8 . . 118.6 ?
N4 C9 C10 . . 121.3(3) ?
N4 C9 C2 . . 116.6(3) ?
C10 C9 C2 . . 122.1(3) ?
C11 C10 C9 . . 118.7(3) ?
C11 C10 H10 . . 120.6 ?
C9 C10 H10 . . 120.6 ?
C10 C11 C12 . . 120.3(4) ?
C10 C11 H11 . . 119.8 ?
C12 C11 H11 . . 119.8 ?
C13 C12 C11 . . 117.6(4) ?
C13 C12 H12 . . 121.2 ?
C11 C12 H12 . . 121.2 ?
N4 C13 C12 . . 123.1(3) ?
N4 C13 H13 . . 118.4 ?
C12 C13 H13 . . 118.4 ?
N5 C14 C15 . . 118.5(4) ?
N5 C14 C3 . . 119.5(4) ?
C15 C14 C3 . . 122.0(4) ?
C16 C15 C14 . . 119.6(4) ?
C16 C15 H15 . . 120.2 ?
C14 C15 H15 . . 120.2 ?
C15 C16 C17 . . 120.0(4) ?
C15 C16 H16 . . 120.0 ?
C17 C16 H16 . . 120.0 ?
C18 C17 C16 . . 118.8(4) ?
C18 C17 H17 . . 120.6 ?
C16 C17 H17 . . 120.6 ?
N5 C18 C17 . . 120.5(4) ?
N5 C18 H18 . . 119.7 ?
C17 C18 H18 . . 119.7 ?
N6 C19 Pt1 . . 178.6(3) ?
N7 C20 Pt1 . . 178.8(3) ?
H31A O31 H31B . . 107.2(12) ?
H32A O32 H32B . . 106.3(12) ?
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
C3 N2 C1 N1 . . . . 0.4(4) ?
C3 N2 C1 C4 . . . . 176.7(3) ?
C2 N1 C1 N2 . . . . 0.4(4) ?
C2 N1 C1 C4 . . . . -175.8(3) ?
C1 N1 C2 C3 . . . . -0.9(4) ?
C1 N1 C2 C9 . . . . 175.0(3) ?
C1 N2 C3 C2 . . . . -1.0(4) ?
C1 N2 C3 C14 . . . . 179.5(3) ?
N1 C2 C3 N2 . . . . 1.2(4) ?
C9 C2 C3 N2 . . . . -173.9(3) ?
N1 C2 C3 C14 . . . . -179.4(4) ?
C9 C2 C3 C14 . . . . 5.5(7) ?
C8 N3 C4 C5 . . . . -1.4(5) ?
C8 N3 C4 C1 . . . . 176.1(3) ?
N2 C1 C4 N3 . . . . -168.9(3) ?
N1 C1 C4 N3 . . . . 6.9(5) ?
N2 C1 C4 C5 . . . . 8.7(5) ?
N1 C1 C4 C5 . . . . -175.5(3) ?
N3 C4 C5 C6 . . . . 2.5(5) ?
C1 C4 C5 C6 . . . . -175.0(3) ?
C4 C5 C6 C7 . . . . -1.0(6) ?
C5 C6 C7 C8 . . . . -1.4(7) ?
C4 N3 C8 C7 . . . . -1.1(6) ?
C6 C7 C8 N3 . . . . 2.6(7) ?
C13 N4 C9 C10 . . . . -0.4(5) ?
C13 N4 C9 C2 . . . . 178.1(3) ?
N1 C2 C9 N4 . . . . 168.6(3) ?
C3 C2 C9 N4 . . . . -17.0(5) ?
N1 C2 C9 C10 . . . . -12.9(5) ?
C3 C2 C9 C10 . . . . 161.5(4) ?
N4 C9 C10 C11 . . . . 1.1(5) ?
C2 C9 C10 C11 . . . . -177.4(3) ?
C9 C10 C11 C12 . . . . -0.7(5) ?
C10 C11 C12 C13 . . . . -0.3(5) ?
C9 N4 C13 C12 . . . . -0.7(5) ?
C11 C12 C13 N4 . . . . 1.0(5) ?
C18 N5 C14 C15 . . . . 0.8(6) ?
C18 N5 C14 C3 . . . . -179.9(3) ?
N2 C3 C14 N5 . . . . -173.1(3) ?
C2 C3 C14 N5 . . . . 7.4(6) ?
N2 C3 C14 C15 . . . . 6.1(5) ?
C2 C3 C14 C15 . . . . -173.3(4) ?
N5 C14 C15 C16 . . . . 0.1(5) ?
C3 C14 C15 C16 . . . . -179.1(4) ?
C14 C15 C16 C17 . . . . -0.7(5) ?
C15 C16 C17 C18 . . . . 0.3(6) ?
C14 N5 C18 C17 . . . . -1.2(6) ?
C16 C17 C18 N5 . . . . 0.6(6) ?
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
N5 H5' N4 1_555 0.84 1.83 2.609(4) 154 yes
N1 H1' O31 1_565 0.84 1.94 2.771(4) 169 yes
O31 H31B O32 2_655 0.84 2.02 2.778(4) 151 yes
O32 H32A N6 7_566 0.84 2.12 2.937(4) 164 yes
O31 H31A N3 1_545 0.84 2.05 2.822(5) 152 yes
O32 H32B N7 4_545 0.84 2.02 2.854(5) 170 yes
C6 H6 O32 8_565 0.95 2.68 3.564(5) 155 yes
C17 H17 O32 1_655 0.95 2.88 3.459(5) 120 yes
C18 H18 O32 1_655 0.95 2.70 3.375(5) 129 yes
C18 H18 N6 7_666 0.95 2.50 3.406(5) 161 yes
data_global
_journal_date_recd_electronic 2013-04-22
_journal_date_accepted 2013-04-29
_journal_name_full 'Acta Crystallographica, Section E'
_journal_year 2013
_journal_volume 69
_journal_issue 6
_journal_page_first m300
_journal_page_last m301
_journal_paper_category QM
_journal_paper_doi 10.1107/S1600536813011665
_journal_coeditor_code SU2593
_publ_contact_author_name 'Jose J. Campos-Gaxiola'
_publ_contact_author_address
;
Facultad de Ingenieria Mochis, Universidad Autonoma de Sinaloa
Fuente Poseidon y Prol. A. Flores S/N, CP 81223, C.U. Los Mochis, Sinaloa,
Mexico
;
_publ_contact_author_email 'gaxiolajose@yahoo.com.mx'
_publ_contact_author_fax '(52) 668 8127641'
_publ_contact_author_phone '(52) 668 8127641'
_publ_section_title
;
Bis{2-[2,5-bis(pyridin-2-yl)-1H-imidazol-4-yl]pyridinium}
tetracyanidoplatinate(II) tetrahydrate
;
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
'G\'amez-Heredia, Raquel' .
;
Departamento de Investigac\'ion en Polimeros y Materiales,
Universidad de Sonora
Rosales y Blvd. Luis Encinas S/N, Col. Centro, Edificio 3G, CP 83000,
Hermosillo, Sonora, Mexico
;
'Navarro, Rosa E.' .
;
Departamento de Investigac\'ion en Polimeros y Materiales,
Universidad de Sonora
Rosales y Blvd. Luis Encinas S/N, Col. Centro, Edificio 3G, CP 83000,
Hermosillo, Sonora, Mexico
;
'H\"opfl, Herbert' .
;
Centro de Investigaciones Quimicas,
Universidad Aut\'onoma del Estado de Morelos,
Av. Universidad 1001, CP 62210, Cuernavaca, Morelos, Mexico
;
'Cruz-Enr\'iquez, Adriana' .
;
Facultad de Ingenieria Mochis, Universidad Aut\'onoma de Sinaloa,
Fuente Poseidon y Prol. A. Flores S/N, CP 81223, C.U. Los Mochis, Sinaloa,
Mexico
;
'Campos-Gaxiola, Jos\'e J.' .
;
Facultad de Ingenieria Mochis, Universidad Aut\'onoma de Sinaloa,
Fuente Poseidon y Prol. A. Flores S/N, CP 81223, C.U. Los Mochis, Sinaloa,
Mexico
;