<i>catena</i>-Poly[[[μ-di-4-pyridyldiazene-κ^2^<i>N</i>^4^:<i>N</i>^4'^-bis[(triphenylphosphine-κ<i>P</i>)copper(I)]]-μ-pyridine-2-carbaldehyde azine-κ<i>N</i>^2^,<i>N</i>:<i>N</i>',<i>N</i>^2'^] bis(tetrafluoroborate)]
Ming-Ming, Yu; Wen-Fu, Fu; Zhan-Xian, Li; Zu-Fu, Yao; Lin-Fang, Jia; Acta Crystallographica Section E 60 (2004) m1897–m1899; doi:10.1107/S1600536804029253

data_2204703
_publ_section_title
;<i>catena</i>-Poly[[[\m-di-4-pyridyldiazene-\k^2^<i>N</i>^4^:<i>N</i>^4'^-bis[(triphenylphosphine-\k<i>P</i>)copper(I)]]-\m-pyridine-2-carbaldehyde
 azine-\k<i>N</i>^2^,<i>N</i>:<i>N</i>',<i>N</i>^2'^] bis(tetrafluoroborate)]
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1897
_journal_page_last               m1899
_journal_paper_doi               10.1107/S1600536804029253
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac
'[Cu2 (C10 H8 N4) (C12 H10 N4) (C18 H15 P)2] (B F4)2'
_chemical_formula_moiety         'C58 H48 Cu2 N8 P2 2+, 2B1 F4 -'
_chemical_formula_sum            'C58 H48 B2 Cu2 F8 N8 P2'
_chemical_formula_weight         1219.68
_chemical_name_systematic
;
catena-poly[[[\m-di-4-pyridyldiazene-\k^2^N^4^:N^4'^-bis[(triphenylphosphine-
\kP)copper(I)]]-\m-pyridine-2-carbaldehyde azine-\kN^2^,N:N',N^2'^]
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
_cell_angle_alpha                81.790(14)
_cell_angle_beta                 82.515(13)
_cell_angle_gamma                84.724(14)
_cell_formula_units_Z            1
_cell_length_a                   10.262(9)
_cell_length_b                   10.767(10)
_cell_length_c                   13.437(12)
_cell_measurement_reflns_used    867
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      2.3
_cell_volume                     1453(2)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(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       '\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  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0879
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7407
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.54
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.858
_exptl_absorpt_correction_T_max  0.887
_exptl_absorpt_correction_T_min  0.794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.394
_exptl_crystal_density_meas      1.394
_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          0.14
_refine_diff_density_max         1.008
_refine_diff_density_min         -0.560
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5090
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0986
_refine_ls_R_factor_gt           0.0669
_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^)+(0.1258P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1855
_refine_ls_wR_factor_ref         0.2102
_reflns_number_gt                3586
_reflns_number_total             5090
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg6102.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.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' 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.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' 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               2204703
_cod_database_fobs_code          2204703