<i>catena</i>-Poly[[[μ-pyridine-2-carbaldehyde azine-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>'''-bis[(triphenylphosphine-κ<i>P</i>)copper(I)]]-μ-1,2-bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>'] bis(tetrafluoroborate)]
Juan Mo; Heng-Yu Qian; Xiang-Dang Du; Wen Chen; Acta Crystallographica Section E 62 (2006) m726–m727; doi:10.1107/S160053680600818X

data_2208612
_publ_section_title
;<i>catena</i>-Poly[[[\m-pyridine-2-carbaldehyde
 azine-\k^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>'''-bis[(triphenylphosphine-\k<i>P</i>)copper(I)]]-\m-1,2-bis(4-pyridyl)ethene-\k^2^<i>N</i>:<i>N</i>']
 bis(tetrafluoroborate)]
;
_journal_coeditor_code           HG2014
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m726
_journal_page_last               m727
_journal_paper_doi               10.1107/S160053680600818X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Cu2 (C12 H10 N2) (C12 H10 N4) (C18 H15 P)2] (B F4)2'
_chemical_formula_moiety         'C60 H50 Cu2 N6 P2 2+, 2B F4 -'
_chemical_formula_sum            'C60 H50 B2 Cu2 F8 N6 P2'
_chemical_formula_weight         1217.70
_chemical_name_systematic
;
catena-Poly[[[\m-pyridine-2-carbaldehyde
azine-k^4^N,N':N'',N'''-bis[(triphenylphosphine-\kP)copper(I)]]-\m-
1,2-bis(4-pyridyl)ethene-\k^2^N:N'] bis(tetrafluoroborate)]
;
_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                82.447(12)
_cell_angle_beta                 84.181(12)
_cell_angle_gamma                84.620(13)
_cell_formula_units_Z            1
_cell_length_a                   10.196(5)
_cell_length_b                   10.710(6)
_cell_length_c                   13.590(7)
_cell_measurement_reflns_used    777
_cell_measurement_temperature    292(3)
_cell_measurement_theta_max      23.75
_cell_measurement_theta_min      3.22
_cell_volume                     1458.7(13)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP (Sheldrick, 1998)'
_computing_publication_material  XP
_computing_structure_refinement  'SHELXL97 '
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(3)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_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  0.0681
_diffrn_reflns_av_sigmaI/netI    0.1593
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7124
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.30
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.853
_exptl_absorpt_correction_T_max  0.876045
_exptl_absorpt_correction_T_min  0.845314
_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             622
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.800
_refine_diff_density_min         -1.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         4985
_refine_ls_number_restraints     206
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.1371
_refine_ls_R_factor_gt           0.0663
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1091P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1732
_refine_ls_wR_factor_ref         0.2160
_reflns_number_gt                2554
_reflns_number_total             4985
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2014.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        1458.8(14)
_cod_database_code               2208612