<i>catena</i>-Poly[[bis(<i>O,O</i>'-diethyl dithiophosphato-κ^2^<i>S,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 60 (2004) m1912–m1914; doi:10.1107/S1600536804029721

data_2204608
_publ_section_title
;<i>catena</i>-Poly[[bis(<i>O,O</i>'-diethyl
 dithiophosphato-\k^2^<i>S,S</i>')cadmium(II)]-\m-4,4'-bipyridine-<i>N</i>:<i>N</i>']
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1912
_journal_page_last               m1914
_journal_paper_doi               10.1107/S1600536804029721
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cd (C4 H10 O2 P S2)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C18 H28 Cd N2 O4 P2 S4'
_chemical_formula_sum            'C18 H28 Cd N2 O4 P2 S4'
_chemical_formula_weight         639.00
_chemical_name_systematic
'catena-Poly[[bis(O,O'-diethyl 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                98.71(3)
_cell_angle_beta                 103.96(4)
_cell_angle_gamma                118.818(16)
_cell_formula_units_Z            1
_cell_length_a                   8.819(6)
_cell_length_b                   8.852(5)
_cell_length_c                   10.404(6)
_cell_measurement_reflns_used    2089
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.1258
_cell_volume                     655.5(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 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, 1990)'
_diffrn_ambient_temperature      130.1500
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       CCD-profile-fitting
_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  0.0203
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5084
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.13
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.300
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.791
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             324
_exptl_crystal_size_max          0.3000
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.0800
_refine_diff_density_max         2.365
_refine_diff_density_min         -0.845
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     161
_refine_ls_number_reflns         2975
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0768P)^2^+2.5033P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1311
_refine_ls_wR_factor_ref         0.1354
_reflns_number_gt                2687
_reflns_number_total             2975
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br6169.cif
_cod_data_source_block           I
_cod_database_code               2204608
_cod_database_fobs_code          2204608