<i>catena</i>-Poly[[copper(I)-bis[μ-bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']-copper(I)-μ-2,2'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] bis(tetrafluoridoborate) dichloromethane 2.5-solvate]
Juan, Mo; Gong-Zheng, Hu; Wen, Chen; Li, Yuan; Yu-Shan, Pan; Acta Crystallographica Section E 64 (2008) m391–m391; doi:10.1107/S1600536808001530

data_2217533
_publ_section_title
;<i>catena</i>-Poly[[copper(I)-bis[\m-bis(diphenylphosphino)methane-\k^2^<i>P</i>:<i>P</i>']-copper(I)-\m-2,2'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
 bis(tetrafluoridoborate) dichloromethane 2.5-solvate]
;
_journal_coeditor_code           HG2367
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m391
_journal_page_last               m391
_journal_paper_doi               10.1107/S1600536808001530
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Cu2 (C10 H8 N2) (C25 H22 P2)2] (B F4)2 , 2.5C H2 Cl2'
_chemical_formula_moiety
'C60 H52 Cu2 N2 P4 2+ , 2.5C H2 Cl2 , 2B F4 -'
_chemical_formula_sum            'C62.5 H57 B2 Cl5 Cu2 F8 N2 P4'
_chemical_formula_weight         1437.93
_chemical_name_systematic
;
catena-Poly[[copper(I)-bis[\m-bis(diphenylphosphino)methane-\k^2^P:P']-
copper(I)-\m-2,2'-bipyridine-\k^2^N:N'] bis(tetrafluoridoborate)
dichloromethane 2.5-solvate]
;
_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           SHELXL-97
_cell_angle_alpha                82.821(2)
_cell_angle_beta                 89.030(2)
_cell_angle_gamma                74.237(2)
_cell_formula_units_Z            2
_cell_length_a                   10.9860(12)
_cell_length_b                   16.1541(18)
_cell_length_c                   20.336(2)
_cell_measurement_reflns_used    4736
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      23.55
_cell_measurement_theta_min      2.40
_cell_volume                     3445.5(6)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0672
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            17673
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.01
_exptl_absorpt_coefficient_mu    0.964
_exptl_absorpt_correction_T_max  0.946715
_exptl_absorpt_correction_T_min  0.871033
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1462
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.144
_refine_diff_density_min         -0.536
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.162
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     802
_refine_ls_number_reflns         12068
_refine_ls_number_restraints     142
_refine_ls_restrained_S_all      1.192
_refine_ls_R_factor_all          0.1147
_refine_ls_R_factor_gt           0.0676
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1056P)^2^+4.6434P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1972
_refine_ls_wR_factor_ref         0.2312
_reflns_number_gt                7620
_reflns_number_total             12068
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2367.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_original_cell_volume        3445.5(7)
_cod_database_code               2217533
_cod_database_fobs_code          2217533