<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')zinc(II)]-μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>']
Tiekink, Edward R. T.; Wardell, James L.; Welte, William B.; Acta Crystallographica Section E 63 (2007) m818–m820; doi:10.1107/S1600536807007544

data_2212442
_publ_section_title
;<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-diethyl
 dithiophosphato-\k^2^<i>S</i>,<i>S</i>')zinc(II)]-\m-1,2-di-4-pyridylethane-\k^2^<i>N</i>:<i>N</i>']
;
_journal_coeditor_code           AT2224
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m818
_journal_page_last               m820
_journal_paper_doi               10.1107/S1600536807007544
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C4 H10 O2 P1 S2)2 (C12 H12 N2)]'
_chemical_formula_moiety         'C20 H32 N2 O4 P2 S4 Zn'
_chemical_formula_sum            'C20 H32 N2 O4 P2 S4 Zn'
_chemical_formula_weight         620.03
_chemical_name_systematic
;
catena-Poly[[bis(O,O'-diethyl dithiophosphato-\k^2^S,S')zinc(II)]-\m-1,2-
di-4-pyridylethane-\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                 103.5990(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.6895(2)
_cell_length_b                   16.9503(4)
_cell_length_c                   14.6979(3)
_cell_measurement_reflns_used    6612
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.0
_cell_volume                     2830.61(10)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) and COLLECT'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        'DENZO and COLLECT'
_computing_molecular_graphics
'DIAMOND (Brandenburg, 2006) and ORTEPII (Johnson, 1976)'
_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      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type
'Bruker-Nonius 95mm CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_av_sigmaI/netI    0.032
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            41164
_diffrn_reflns_theta_full        27.0
_diffrn_reflns_theta_max         27.0
_diffrn_reflns_theta_min         1.9
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.304
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.829
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.455
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.00
_refine_diff_density_min         -1.27
_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     307
_refine_ls_number_reflns         6173
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.11
_refine_ls_R_factor_all          0.063
_refine_ls_R_factor_gt           0.042
_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^)+(0.0866P)^2^+1.3066P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.117
_refine_ls_wR_factor_ref         0.142
_reflns_number_gt                4828
_reflns_number_total             6173
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2224.cif
_cod_data_source_block           I
_cod_original_cell_volume        2830.60(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2212442
_cod_database_fobs_code          2212442