Bis[μ-bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)] bis(tetrafluoroborate)
Jin, Shouwen; Wang, Daqi; Acta Crystallographica Section E 65 (2009) m1244–; doi:10.1107/S1600536809038252

data_2223498
_publ_section_title
;Bis[\m-bis(diphenylphosphino)methane-\k^2^<i>P</i>:<i>P</i>']bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')copper(I)]
 bis(tetrafluoroborate)
;
_journal_coeditor_code           NG2640
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1244
_journal_paper_doi               10.1107/S1600536809038252
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cu2 (C10 H8 N2)2 (C25 H22 P2)2] (B F4)2'
_chemical_formula_moiety         'C70 H60 Cu2 N4 P4 2+, 2(B F4 -)'
_chemical_formula_sum            'C70 H60 B2 Cu2 F8 N4 P4'
_chemical_formula_weight         1381.80
_chemical_name_systematic
;
Bis[\m-bis(diphenylphosphino)methane-\k^2^<i>P</i>:<i>P</i>']bis[(2,2'-
bipyridine-\k^2^<i>N</i>,<i>N</i>')copper(I)] bis(tetrafluoroborate)
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_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
_cell_angle_alpha                64.6030(10)
_cell_angle_beta                 75.781(2)
_cell_angle_gamma                75.120(2)
_cell_formula_units_Z            1
_cell_length_a                   11.5601(11)
_cell_length_b                   12.1936(13)
_cell_length_c                   13.1022(18)
_cell_measurement_reflns_used    1867
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.162
_cell_measurement_theta_min      2.284
_cell_volume                     1592.9(3)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker SMART'
_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  0.0515
_diffrn_reflns_av_sigmaI/netI    0.1108
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8214
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.838
_exptl_absorpt_correction_T_max  0.8707
_exptl_absorpt_correction_T_min  0.7581
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.435
_refine_diff_density_min         -0.802
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         5497
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.1277
_refine_ls_R_factor_gt           0.0776
_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^)+(0.0959P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1805
_refine_ls_wR_factor_ref         0.2159
_reflns_number_gt                3264
_reflns_number_total             5497
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2640.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2223498
_cod_database_fobs_code          2223498