Solid state coordination chemistry of oxovanadates: hydrothermal syntheses and structures of two novel copper vanadate ribbons, β-[Cu(2,2'-bipyridine)V2O6] and β-[Cu(2,2'∶6',2″-terpyridine)V2O6]
Robert C. Finn; Jessica Sims; Chares J. O'Connor; Jon Zubieta; J. Chem. Soc., Dalton Trans.  (2002) 159–163; doi:10.1039/b103165c

data_7010754
_publ_section_title
;
 Solid state coordination chemistry of oxovanadates: hydrothermal
 syntheses and structures of two novel copper vanadate ribbons,
 \b-[Cu(2,2'-bipyridine)V2O6] and
 \b-[Cu(2,2'&#x2236;6',2&#x2033;-terpyridine)V2O6]
;
_journal_issue                   2
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              159
_journal_page_last               163
_journal_paper_doi               10.1039/b103165c
_journal_year                    2002
_chemical_formula_sum            'C15 H11 Cu N3 O6 V2'
_chemical_formula_weight         494.69
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.787(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3222(7)
_cell_length_b                   21.2995(16)
_cell_length_c                   8.3524(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1656.5(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_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  0.0615
_diffrn_reflns_av_sigmaI/netI    0.0846
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            10992
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    2.418
_exptl_crystal_density_diffrn    1.984
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             980
_refine_diff_density_max         1.048
_refine_diff_density_min         -0.814
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4001
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_gt           0.0450
_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^)+(0.0507P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.1088
_reflns_number_gt                2689
_reflns_number_total             4001
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b103165c.txt
_cod_data_source_block           compound_2
_cod_database_code               7010754