<i>catena</i>-Poly[bis(μ-2,2'-bipyridin-6-olato)-κ^3^<i>N</i>,<i>N</i>':<i>O</i>;<i>O</i>:<i>N</i>,<i>N</i>'-dicopper(I,II) [[tetrafluoridoniobium(V)]-μ-oxido]]
Zhong, Zhi-Guo; Feng, Yu-Quan; Zhang, Ping; Acta Crystallographica Section C 69 (2013) 833–836; doi:10.1107/S0108270113018064

data_2019082
_publ_section_title
;
 <i>catena</i>-Poly[bis(\m-2,2'-bipyridin-6-olato)-\k^3^<i>N</i>,<i>N</i>':<i>O</i>;<i>O</i>:<i>N</i>,<i>N</i>'-dicopper(I,II)
 [[tetrafluoridoniobium(V)]-\m-oxido]]
;
_journal_coeditor_code           KU3104
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              833
_journal_page_last               836
_journal_paper_doi               10.1107/S0108270113018064
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cu (C10 H7 N2 O1)] [Nb F4 O]'
_chemical_formula_moiety         'C20 H14 Cu2 N4 O2 +, F4 Nb O -'
_chemical_formula_sum            'C20 H14 Cu2 F4 N4 Nb O3'
_chemical_formula_weight         654.34
_chemical_name_systematic
;<i>catena</i>-Poly[bis(\m-2,2'-bipyridin-6-olato)-\k^3^<i>N</i>,<i>N</i>':<i>O</i>;<i>O</i>:<i>N</i>,<i>N</i>'-dicopper(I,II)
[[tetrafluoridoniobium(V)]-\m-oxido]]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.1880(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.2718(12)
_cell_length_b                   3.9347(3)
_cell_length_c                   29.0066(19)
_cell_measurement_reflns_used    4143
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.27
_cell_volume                     2052.5(2)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'SMART (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0201
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            4803
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    2.672
_exptl_absorpt_correction_T_max  0.6448
_exptl_absorpt_correction_T_min  0.5547
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    2.118
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1284
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.312
_refine_diff_density_min         -0.457
_refine_ls_extinction_coef       0.00189(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     165
_refine_ls_number_reflns         1803
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0206
_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^)+(0.0285P)^2^+3.5708P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0572
_refine_ls_wR_factor_ref         0.0579
_reflns_number_gt                1744
_reflns_number_total             1803
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ku3104.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -C2yc
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2019082
_cod_database_fobs_code          2019082