Poly[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')deca-μ-oxido-dioxidodicopper(II)tetravanadium(V)]
Zhang, Xiao; Xia, Wujiong; Xu, Xianzhu; Yi, ZhiHui; Yang, Chao; Acta Crystallographica Section E 64 (2008) m287–m288; doi:10.1107/S1600536807067979

data_2217558
_publ_section_title
Poly[bis(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')deca-\m-oxido-dioxidodicopper(II)tetravanadium(V)]
_journal_coeditor_code           HY2113
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m287
_journal_page_last               m288
_journal_paper_doi               10.1107/S1600536807067979
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu2 V4 O12 (C10 H8 N2)2]'
_chemical_formula_moiety         'C10 H8 Cu N2 O6 V2'
_chemical_formula_sum            'C10 H8 Cu N2 O6 V2'
_chemical_formula_weight         417.60
_chemical_name_systematic
;
poly[bis(2,2'-bipyridine-\k^2^N,N')deca-\m-oxido-
dioxidodicopper(II)tetravanadium(V)],
;
_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                72.332(3)
_cell_angle_beta                 84.562(3)
_cell_angle_gamma                77.878(3)
_cell_formula_units_Z            2
_cell_length_a                   8.1019(4)
_cell_length_b                   8.3122(5)
_cell_length_c                   10.3501(4)
_cell_measurement_reflns_used    3811
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.07
_cell_volume                     648.98(6)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_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  0.0548
_diffrn_reflns_av_sigmaI/netI    0.0577
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4603
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    3.061
_exptl_absorpt_correction_T_max  0.469
_exptl_absorpt_correction_T_min  0.379
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.137
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             410
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.532
_refine_diff_density_min         -0.753
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         3114
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0339
_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^)+(0.0438P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0793
_refine_ls_wR_factor_ref         0.0836
_reflns_number_gt                2553
_reflns_number_total             3114
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2113.cif
_cod_data_source_block           I
_cod_database_code               2217558
_cod_database_fobs_code          2217558