<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')zinc(II)]-μ-1,2-di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>']
Welte, William B.; Tiekink, Edward R. T.; Acta Crystallographica Section E 63 (2007) m790–m792; doi:10.1107/S1600536807005995

data_2212569
_publ_section_title
;<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-diisopropyl
 dithiophosphato-\k^2^<i>S</i>,<i>S</i>')zinc(II)]-\m-1,2-di-4-pyridylethylene-\k^2^<i>N</i>:<i>N</i>']
;
_journal_coeditor_code           HB2287
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m790
_journal_page_last               m792
_journal_paper_doi               10.1107/S1600536807005995
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C6 H14 O2 P S2)2 (C12 H10 N2)]'
_chemical_formula_moiety         'C24 H38 N2 O4 P2 S4 Zn'
_chemical_formula_sum            'C24 H38 N2 O4 P2 S4 Zn'
_chemical_formula_weight         674.11
_chemical_name_systematic
;
catena-Poly[[bis(O,O'-diisopropyl dithiophosphato-\k^2^S,S')zinc(II)]-
\m-1,2-di-4-pyridylethylene-\k^2^N:N']
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 109.289(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.003(3)
_cell_length_b                   7.5378(8)
_cell_length_c                   21.517(3)
_cell_measurement_reflns_used    11449
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     3215.3(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution
'PATTY in DIRDIF92 (Beurskens <i>et al.</i>,  1992)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku AFC-12 \K/SATURN 724'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_av_sigmaI/netI    0.028
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            59374
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.5
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.154
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.06
_refine_diff_density_min         -0.57
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         7241
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.09
_refine_ls_R_factor_all          0.045
_refine_ls_R_factor_gt           0.040
_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^)+(0.036P)^2^+3.7376P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.085
_refine_ls_wR_factor_ref         0.087
_reflns_number_gt                6624
_reflns_number_total             7241
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2287.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2212569
_cod_database_fobs_code          2212569