<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-diisobutyl 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 62 (2006) m2070–m2072; doi:10.1107/S1600536806029588

data_2210267
_publ_section_title
;<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-diisobutyl
 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           HG2082
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2070
_journal_page_last               m2072
_journal_paper_doi               10.1107/S1600536806029588
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Zn (C8 H17 O2 P1 S2)2 (C12 H12 N2)]'
_chemical_formula_moiety         'C28 H46 N2 O4 P2 S4 Zn'
_chemical_formula_sum            'C28 H46 N2 O4 P2 S4 Zn'
_chemical_formula_weight         730.22
_chemical_name_systematic
;
catena-Poly[[bis(O,O'-diisobutyl 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           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 94.797(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.735(2)
_cell_length_b                   9.428(2)
_cell_length_c                   19.035(5)
_cell_measurement_reflns_used    5979
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1740.9(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and DIAMOND (Crystal Impact, 2006)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  AFC12\K/SATURN724
_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  0.052
_diffrn_reflns_av_sigmaI/netI    0.023
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            43504
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         3.0
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.072
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.662
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.70
_refine_diff_density_min         -0.39
_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     187
_refine_ls_number_reflns         3981
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.10
_refine_ls_R_factor_all          0.0391
_refine_ls_R_factor_gt           0.0367
_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^)+(0.05P)^2^+1.1222P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.0944
_reflns_number_gt                3749
_reflns_number_total             3981
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2082.cif
_cod_data_source_block           I
_cod_original_cell_volume        1741.0(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2210267
_cod_database_fobs_code          2210267