<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-dicyclohexyldithiophosphato-κ^2^,<i>S</i>,<i>S</i>')zinc(II)]-μ-1,2-bis(4-pyridylmethylene)hydrazine-κ^2^<i>N</i>:<i>N</i>']
Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.; Acta Crystallographica Section E 61 (2005) m2052–m2054; doi:10.1107/S1600536805029466

data_2207023
_publ_section_title
<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-dicyclohexyldithiophosphato-\k^2^,<i>S</i>,<i>S</i>')zinc(II)]-\m-1,2-bis(4-pyridylmethylene)hydrazine-\k^2^<i>N</i>:<i>N</i>']
_journal_coeditor_code           NG6201
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2052
_journal_page_last               m2054
_journal_paper_doi               10.1107/S1600536805029466
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Zn (C12 H22 O2 P S2)2 (C12 H10 N4)]'
_chemical_formula_moiety         'C36 H54 N4 O4 P2 S4 Zn'
_chemical_formula_sum            'C36 H54 N4 O4 P2 S4 Zn'
_chemical_formula_weight         862.38
_chemical_melting_point          .377E-305
_chemical_name_systematic
;
catena-Poly[[bis(O,O'-dicyclohexyl dithiophosphato-\k^2^,S,S')zinc(II)]-
\m-1,2-bis(4-pyridylmethylene)hydrazine-\k^2^N:N']
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.3340(8)
_cell_length_b                   12.0404(5)
_cell_length_c                   19.1304(8)
_cell_measurement_reflns_used    6234
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.8
_cell_measurement_theta_min      2.4
_cell_volume                     4223.0(3)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SHELXTL (Bruker, 2000)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'PATTY in DIRDIF92 (Beurskens et al., 1992)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'medium-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_av_sigmaI/netI    0.032
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            39717
_diffrn_reflns_theta_full        30.0
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.896
_exptl_absorpt_correction_T_max  0.792
_exptl_absorpt_correction_T_min  0.565
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.92
_refine_diff_density_min         -0.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.10
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         6155
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.10
_refine_ls_R_factor_all          0.073
_refine_ls_R_factor_gt           0.057
_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^)+(0.0635P)^2^+1.9949P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.128
_refine_ls_wR_factor_ref         0.137
_reflns_number_gt                4886
_reflns_number_total             6155
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng6201.cif
_cod_data_source_block           I
_cod_database_code               2207023
_cod_database_fobs_code          2207023