Poly[μ~2~-chloro-μ~2~-1,4-oxathiane-κ^2^<i>S</i>:<i>S</i>-copper(I)]
Salivon, Natalya F.; Filinchuk, Yaroslav E.; Olijnyk, Volodymyr V.; Acta Crystallographica Section C 63 (2007) m57–m58; doi:10.1107/S0108270106054047

data_2015817
_publ_section_title
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 Poly[\m~2~-chloro-\m~2~-1,4-oxathiane-\k^2^<i>S</i>:<i>S</i>-copper(I)]
;
_journal_coeditor_code           SQ3054
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m57
_journal_page_last               m58
_journal_paper_doi               10.1107/S0108270106054047
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu Cl (C4 H8 O S)]'
_chemical_formula_moiety         'C4 H8 Cl Cu O S'
_chemical_formula_sum            'C4 H8 Cl Cu O S'
_chemical_formula_weight         203.17
_chemical_name_systematic
;
Poly[\m~2~-chloro-\m~2~-1,4-oxathiane-\k^2^S:S-copper(I)]
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 104.572(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5068(12)
_cell_length_b                   6.5035(10)
_cell_length_c                   11.4259(16)
_cell_measurement_reflns_used    1892
_cell_measurement_temperature    293.0(10)
_cell_measurement_theta_max      55.7
_cell_measurement_theta_min      7.3
_cell_volume                     683.71(17)
_computing_cell_refinement       'CELL in IPDS Software'
_computing_data_collection       'EXPOSE in IPDS Software (Stoe & Cie, 1999)'
_computing_data_reduction        'TWIN in IPDS Software'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293.0(10)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       '\f oscillation'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0606
_diffrn_reflns_av_sigmaI/netI    0.0872
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4497
_diffrn_reflns_theta_full        28.05
_diffrn_reflns_theta_max         28.05
_diffrn_reflns_theta_min         3.63
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  10
_diffrn_standards_number         200
_exptl_absorpt_coefficient_mu    3.787
_exptl_absorpt_correction_T_max  0.8591
_exptl_absorpt_correction_T_min  0.7394
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-RED; Stoe & Cie, 1999)'
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    1.974
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             408
_exptl_crystal_size_max          0.168
_exptl_crystal_size_mid          0.094
_exptl_crystal_size_min          0.072
_refine_diff_density_max         0.525
_refine_diff_density_min         -0.372
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.765
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     43
_refine_ls_number_reflns         1600
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.765
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.044
_refine_ls_shift/su_mean         0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0294P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0628
_refine_ls_wR_factor_ref         0.0699
_reflns_number_gt                892
_reflns_number_total             1658
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq3054.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2015817
_cod_database_fobs_code          2015817