<i>catena</i>-Poly[[bis[μ-1-(2-pyridyl)pyridinium-2-thiolate]-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-dicopper(I)]-di-μ-chloro]
Harding, Phimphaka; Harding, David J.; Pakawatchai, Chaveng; Phetmung, Hirihattaya; Acta Crystallographica Section E 62 (2006) m1335–m1337; doi:10.1107/S1600536806017028

data_2209344
_publ_section_title
<i>catena</i>-Poly[[bis[\m-1-(2-pyridyl)pyridinium-2-thiolate]-\k^2^<i>N</i>:<i>S</i>;\k^2^<i>S</i>:<i>N</i>-dicopper(I)]-di-\m-chloro]
_journal_coeditor_code           WW2002
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1335
_journal_page_last               m1337
_journal_paper_doi               10.1107/S1600536806017028
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu2 Cl2 (C10 H8 N2 S)2]'
_chemical_formula_moiety         'C20 H16 Cl2 Cu2 N4 S2'
_chemical_formula_sum            'C20 H16 Cl2 Cu2 N4 S2'
_chemical_formula_weight         574.50
_chemical_name_systematic
;
catena-Poly[[bis[\m-1-(2-pyridyl)pyridinium-2-thiolate]-\k^2^N:S;\k^2^S:N-
dicopper(II)]-di-\m-chloro]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.340(2)
_cell_angle_beta                 70.924(2)
_cell_angle_gamma                67.088(2)
_cell_formula_units_Z            1
_cell_length_a                   7.6268(11)
_cell_length_b                   8.7596(13)
_cell_length_c                   9.2748(14)
_cell_measurement_reflns_used    2642
_cell_measurement_temperature    298
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.37
_cell_volume                     528.24(14)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'Xtal3.7 (Hall <i>et al.</i>,  2000)'
_computing_molecular_graphics    'Xtal 3.7'
_computing_publication_material  'Xtal 3.7'
_computing_structure_refinement  'Xtal 3.7'
_computing_structure_solution    'Xtal 3.7'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .011
_diffrn_reflns_av_sigmaI/netI    .022
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4641
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         2.37
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.48
_exptl_absorpt_correction_T_max  0.804
_exptl_absorpt_correction_T_min  0.700
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1997)'
_exptl_crystal_colour            'red [orange?]'
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             288
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         .328
_refine_diff_density_min         -.291
_refine_ls_extinction_coef       39E1(12)
_refine_ls_extinction_expression 'Larson (1970)'
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_all   1.093
_refine_ls_goodness_of_fit_ref   .992
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     169
_refine_ls_number_reflns         1455
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .034
_refine_ls_R_factor_gt           .025
_refine_ls_shift/su_max          .033
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'weighting scheme?'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .042
_refine_ls_wR_factor_ref         .033
_reflns_number_gt                1455
_reflns_number_observed          2619
_reflns_number_total             2619
_reflns_threshold_expression     F>3.98\s(F)
_cod_data_source_file            ww2002.cif
_cod_data_source_block           I
_cod_database_code               2209344