Controlling Cu⋯Cu distances using halides: (8-phenylthionaphth-1-yl)diphenylphosphine copper halide dimers
Knight, Fergus R.; Fuller, Amy L.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Dalton Transactions  (2009) 8476–8478; doi:10.1039/b916692k

data_7002484
_publ_section_title
;
 Controlling Cu&#x22EF;Cu distances using halides:
 (8-phenylthionaphth-1-yl)diphenylphosphine copper halide dimers
;
_journal_issue                   40
_journal_name_full               'Dalton Transactions'
_journal_page_first              8476
_journal_page_last               8478
_journal_paper_doi               10.1039/b916692k
_journal_year                    2009
_chemical_formula_moiety         'C56 H42 Cl2 Cu2 P2 S2 '
_chemical_formula_sum            'C56 H42 Cl2 Cu2 P2 S2'
_chemical_formula_weight         1039.01
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                77.472(9)
_cell_angle_beta                 81.445(10)
_cell_angle_gamma                75.144(10)
_cell_formula_units_Z            1
_cell_length_a                   10.1201(12)
_cell_length_b                   10.3276(13)
_cell_length_c                   11.6100(16)
_cell_measurement_reflns_used    4010
_cell_measurement_temperature    125.1
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      1.8
_cell_volume                     1139.4(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.068
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            14126
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_exptl_absorpt_coefficient_mu    1.252
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             532.00
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.85
_refine_diff_density_min         -0.96
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     290
_refine_ls_number_reflns         4557
_refine_ls_R_factor_gt           0.0991
_refine_ls_shift/su_max          0.0230
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1171P)^2^+5.9292P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2734
_reflns_number_gt                3967
_reflns_number_total             4557
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b916692k.txt
_cod_data_source_block           '__FKDW99Cu-3'
_cod_original_formula_sum        'C56 H42 Cl2 Cu2 P2 S2 '
_cod_database_code               7002484