Reactions of Copper(I) Halides with Tertiary Phosphines. The Unique Structure of [Cu(tribenzylphosphine)2][CuBr2]
Pericles D. Akrivos; Petros P. Karagiannidis; Catherine P. Raptopoulou; Aris Terzis; Stefan Stoyanov; Inorganic Chemistry 35 (1996) 4082–4083; doi:10.1021/ic951387n

data_4323839
_publ_section_title
;
 Reactions of Copper(I) Halides with Tertiary Phosphines. The Unique
 Structure of [Cu(tribenzylphosphine)2][CuBr2]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4082
_journal_page_last               4083
_journal_paper_doi               10.1021/ic951387n
_journal_volume                  35
_journal_year                    1996
_chemical_formula_sum            'C42 H42 Br2 Cu2 P2'
_chemical_formula_weight         895.60
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   13.8294(13)
_cell_length_b                   13.8294(13)
_cell_length_c                   17.429(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23
_cell_measurement_theta_min      11
_cell_volume                     2886.8(5)
_computing_cell_refinement       'Program Least by Crystal Logic software'
_computing_data_collection       'Program Collect by Crystal Logic software'
_computing_data_reduction        'Program Reduce by Crystal Logic software'
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'P21 Nicolet'
_diffrn_measurement_method       'theta-2theta scan'
_diffrn_radiation_monochromator  Zr-filtered
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_l_min       -20
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_exptl_crystal_description       parallelepiped
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_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0284P)^2^+7.0416P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1111
_refine_ls_wR_factor_obs         0.0657
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_cod_data_source_file            ic951387n.cif
_cod_data_source_block           shel93
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0284P)^2^+7.0416P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0284P)^2^+7.0416P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               4323839