<i>catena</i>-Poly[[copper(II)-bis[μ-bis(pyridin-3-yl)methanone-κ^2^<i>N</i>:<i>N</i>']] bis(tetrafluoridoborate)]
Liu, Bin; Acta Crystallographica Section E 67 (2011) m1888–m1889; doi:10.1107/S1600536811050628

data_2232601
_publ_section_title
;
 <i>catena</i>-Poly[[copper(II)-bis[\m-bis(pyridin-3-yl)methanone-\k^2^<i>N</i>:<i>N</i>']]
 bis(tetrafluoridoborate)]
;
_journal_coeditor_code           BT5715
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1888
_journal_page_last               m1889
_journal_paper_doi               10.1107/S1600536811050628
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (C11 H8 N2 O)2] (B F4)2'
_chemical_formula_moiety         'C22 H16 Cu N4 O2 2+, 2(B F4 -)'
_chemical_formula_sum            'C22 H16 B2 Cu F8 N4 O2'
_chemical_formula_weight         605.55
_chemical_name_systematic
;
<i>catena</i>-Poly[[copper(II)-bis[\m-bis(pyridin-3-yl)methanone-
\k^2^<i>N</i>:<i>N</i>']] bis(tetrafluoridoborate)]
;
_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           SHELXL97
_cell_angle_alpha                101.280(2)
_cell_angle_beta                 109.236(2)
_cell_angle_gamma                108.869(2)
_cell_formula_units_Z            1
_cell_length_a                   7.5542(13)
_cell_length_b                   8.7861(15)
_cell_length_c                   10.3389(17)
_cell_measurement_reflns_used    202
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.56
_cell_measurement_theta_min      2.22
_cell_volume                     576.96(17)
_computing_cell_refinement
'<i>APEX2</i> and <i>SAINT</i> (Bruker, 2007)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2007)'
_computing_data_reduction        '<i>SAINT</i> (Bruker, 2007)'
_computing_molecular_graphics    '<i>SHELXTL</i> (Sheldrick, 2008)'
_computing_publication_material
;
<i>SHELXTL</i> and <i>PLATON</i> (Spek, 2009)
;
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type
;
'Bruker ApEXII CCD area-detector'
;
_diffrn_measurement_method       '\w 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  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4090
_diffrn_reflns_theta_full        28.56
_diffrn_reflns_theta_max         28.56
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    1.042
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.756149
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             303
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.849
_refine_diff_density_min         -0.674
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     178
_refine_ls_number_reflns         2857
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0492
_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^)+(0.0760P)^2^+0.4634P] P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1345
_reflns_number_gt                2638
_reflns_number_total             2857
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5715.cif
_cod_data_source_block           I
_cod_database_code               2232601
_cod_database_fobs_code          2232601