Bis[μ-bis(diphenylphosphino)amine-κ^2^<i>P</i>:<i>P</i>']bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)] bis(tetrafluoridoborate) dichloromethane solvate
Juan Mo; Heng-Yu Qian; Xiang-Dang Du; Wen Chen; Acta Crystallographica Section E 63 (2007) m2449–m2449; doi:10.1107/S1600536807037567

data_2215355
_publ_section_title
;Bis[\m-bis(diphenylphosphino)amine-\k^2^<i>P</i>:<i>P</i>']bis[(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(I)]
 bis(tetrafluoridoborate) dichloromethane solvate
;
_journal_coeditor_code           BI2209
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2449
_journal_page_last               m2449
_journal_paper_doi               10.1107/S1600536807037567
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Cu2 (C25 H21 N1 P2)2 (C12 H8 N2)2] (B F4)2, CH2 Cl2'
_chemical_formula_moiety         'C72 H56 Cu2 N6 P4 2+ , 2B F4 - , C H2 Cl2'
_chemical_formula_sum            'C73 H58 B2 Cl2 Cu2 F8 N6 P4'
_chemical_formula_weight         1514.76
_chemical_name_systematic
;
Bis[\m-bis(diphenylphosphino)amine-\k^2^<i>P</i>:<i>P</i>']bis[(1,10-\
phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(I)]
bis(tetrafluoridoborate) dichloromethane solvate
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.8730(15)
_cell_length_b                   17.4039(13)
_cell_length_c                   21.0008(16)
_cell_measurement_reflns_used    9095
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      25.51
_cell_measurement_theta_min      2.34
_cell_volume                     7263.5(9)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0455
_diffrn_reflns_av_sigmaI/netI    0.0340
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            34870
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.83
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.814
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_correction_T_min  0.833
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3088
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.962
_refine_diff_density_min         -0.295
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         6356
_refine_ls_number_restraints     93
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.1181P)^2^+8.285P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1356
_refine_ls_wR_factor_ref         0.1945
_reflns_number_gt                4243
_reflns_number_total             6356
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2209.cif
_cod_data_source_block           I
_cod_database_code               2215355
_cod_database_fobs_code          2215355