<i>catena</i>-Poly[copper(I)-bis(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')-copper(I)-bis(μ-trimethyl trithiophosphite)-κ^2^<i>P</i>:<i>S</i>;κ^2^<i>S</i>:<i>P</i>]
Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G.; Acta Crystallographica Section E 65 (2009) m86–; doi:10.1107/S1600536808041809

data_2220576
_publ_section_title
;<i>catena</i>-Poly[copper(I)-bis(\m-trifluoromethanesulfonato-\k^2^<i>O</i>:<i>O</i>')-copper(I)-bis(\m-trimethyl
 trithiophosphite)-\k^2^<i>P</i>:<i>S</i>;\k^2^<i>S</i>:<i>P</i>]
;
_journal_coeditor_code           LH2742
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m86
_journal_paper_doi               10.1107/S1600536808041809
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cu2 (C F3 S O3)2 (C3 H9 P S3)2]'
_chemical_formula_moiety         'C8 H18 Cu2 F6 O6 P2 S8'
_chemical_formula_sum            'C8 H18 Cu2 F6 O6 P2 S8'
_chemical_formula_weight         769.78
_chemical_melting_point          413
_chemical_name_systematic
;
<i>catena</i>-Poly[copper(I)-bis(\m-trifluoromethanesulfonato-
\k^2^<i>O</i>:<i>O</i>')-copper(I)-bis(\m-trimethyl
trithiophosphite)-\k^2^<i>P</i>:<i>S</i>;\k^2^<i>S</i>:<i>P</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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.674(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.8347(15)
_cell_length_b                   18.306(3)
_cell_length_c                   8.1731(14)
_cell_measurement_reflns_used    4358
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.341
_cell_measurement_theta_min      2.363
_cell_volume                     1289.6(4)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'X-SEED (Barbour, 2001)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0208
_diffrn_reflns_av_sigmaI/netI    0.0239
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7349
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         2.23
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.488
_exptl_absorpt_correction_T_max  0.907
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.982
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.865
_refine_diff_density_min         -0.419
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     148
_refine_ls_number_reflns         2612
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0303
_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^)+(0.0393P)^2^+1.5175P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0746
_reflns_number_gt                2425
_reflns_number_total             2612
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2742.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2220576
_cod_database_fobs_code          2220576