[μ-Butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>:<i>P</i>']bis{[butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>,<i>P</i>']copper(I)} bis(hexafluoridophosphate) diethyl ether disolvate
Nishikawa, Michihiro; Akiyama, Asumi; Tsubomura, Taro; Acta Crystallographica Section E 70 (2014) m204–m205; doi:10.1107/S1600536814009763

data_2239546
_publ_section_title
;
 [\m-Butane-1,4-diylbis(diphenylphosphane)-\k^2^<i>P</i>:<i>P</i>']bis{[butane-1,4-diylbis(diphenylphosphane)-\k^2^<i>P</i>,<i>P</i>']copper(I)}
 bis(hexafluoridophosphate) diethyl ether disolvate
;
_journal_coeditor_code           IS5355
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m204
_journal_page_last               m205
_journal_paper_doi               10.1107/S1600536814009763
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Cu2 (C28 H28 P2)3] (P F6)2, 2C4 H10 O'
_chemical_formula_moiety         'C84 H84 Cu2 P6 2+, 2(F6 P -), 2(C4 H10 O)'
_chemical_formula_sum            'C92 H104 Cu2 F12 O2 P8'
_chemical_formula_weight         1844.61
_chemical_name_systematic
;[\m-Butane-1,4-diylbis(diphenylphosphane)-\k^2^<i>P</i>:<i>P</i>']bis{[butane-1,4-diylbis(diphenylphosphane)-\k^2^<i>P</i>,<i>P</i>']copper(I)}
bis(hexafluoridophosphate) diethyl ether disolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                105.595(3)
_cell_angle_beta                 90.858(2)
_cell_angle_gamma                111.932(3)
_cell_formula_units_Z            1
_cell_length_a                   12.7912(13)
_cell_length_b                   13.7023(16)
_cell_length_c                   14.3811(13)
_cell_measurement_reflns_used    5352
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.1005
_cell_volume                     2233.2(4)
_computing_cell_refinement       'CrystalClear (Rigaku, 2000)'
_computing_data_collection       'CrystalClear (Rigaku, 2000)'
_computing_data_reduction        'CrystalClear (Rigaku, 2000)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
;
SIR92 (Altomare <i>et al.</i>, 1993)
;
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device
;
Rigaku Saturn70 CCD
;
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20774
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.1
_exptl_absorpt_coefficient_mu    0.692
_exptl_absorpt_correction_T_max  0.758
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>REQAB</i>; Rigaku, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             958
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.348
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         9436
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0437P)^2^+1.0988P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0899
_reflns_number_gt                8266
_reflns_number_total             9436
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            is5355sup1.cf
_cod_data_source_block           I
_cod_database_code               2239546
_cod_database_fobs_code          2239546