<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-dimethyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)]-μ-4,4'-bipyridine-<i>N</i>:<i>N</i>']
Tao Li; Zhi-Hua LI; Shao-Wu Du; Acta Crystallographica Section E 61 (2005) m95–m97; doi:10.1107/S1600536804031885

data_2204904
_publ_section_title
;<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-dimethyl
 dithiophosphato-\k^2^<i>S</i>,<i>S</i>')cadmium(II)]-\m-4,4'-bipyridine-<i>N</i>:<i>N</i>']
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m95
_journal_page_last               m97
_journal_paper_doi               10.1107/S1600536804031885
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Cd (C2 H6 O2 P S2)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C14 H20 Cd N2 O4 P2 S4'
_chemical_formula_sum            'C14 H20 Cd N2 O4 P2 S4'
_chemical_formula_weight         582.90
_chemical_name_systematic
;
catena-Poly[[bis(O,O'-dimethyl
dithiophosphato-\k^2^S,S')cadmium(II)]-\m-4,4'-bipyridine-N:N']
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                79.209(15)
_cell_angle_beta                 67.071(12)
_cell_angle_gamma                63.502(13)
_cell_formula_units_Z            2
_cell_length_a                   10.281(3)
_cell_length_b                   10.672(4)
_cell_length_c                   12.945(5)
_cell_measurement_reflns_used    3009
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.4124
_cell_volume                     1170.5(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corporation, 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'SHELXTL '
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku Mercury 70'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0163
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8921
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.4835
_diffrn_reflns_theta_min         3.4124
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.447
_exptl_absorpt_correction_T_max  0.744
_exptl_absorpt_correction_T_min  0.654
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.3000
_exptl_crystal_size_mid          0.2500
_exptl_crystal_size_min          0.2040
_refine_diff_density_max         0.962
_refine_diff_density_min         -0.863
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         5256
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0547P)^2^+1.0677P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1086
_reflns_number_gt                4625
_reflns_number_total             5256
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            is6023.cif
_cod_data_source_block           I
_cod_database_code               2204904
_cod_database_fobs_code          2204904