Poly[[tris(μ~2~-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>')bis(μ~2~-nitrato-κ^2^<i>O</i>,<i>O</i>')hexa-μ~2~-oxo-dioxodimolybdenumtricopper(II)] tetrahydrate]: a polymeric hybrid framework containing Cu^2+^, 4,4-bipyridine, [MoO~4~]^2{-^} and NO~3~^{-^} building units
Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zhang, Lan-Sun; Acta Crystallographica Section E 61 (2005) m2346–m2347; doi:10.1107/S160053680503268X

data_2207235
_publ_section_title
;Poly[[tris(\m~2~-4,4'-bipyridyl-\k^2^<i>N</i>:<i>N</i>')bis(\m~2~-nitrato-\k^2^<i>O</i>,<i>O</i>')hexa-\m~2~-oxo-dioxodimolybdenumtricopper(II)]
 tetrahydrate]: a polymeric hybrid framework containing Cu^2+^,
 4,4-bipyridine, [MoO~4~]^2{-^} and NO~3~^{-^} building units
;
_journal_coeditor_code           HB6280
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2346
_journal_page_last               m2347
_journal_paper_doi               10.1107/S160053680503268X
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Cu3 Mo2 (N O3)2 O8 (C10 H8 N2)3], 4H2 O'
_chemical_formula_moiety         'C30 H24 Cu3 Mo2 N8 O14, 4H2 O'
_chemical_formula_structural     'Cu3, 3C10 H8 N2, 2N O3, 2Mo O4, 4H2 O'
_chemical_formula_sum            'C30 H32 Cu3 Mo2 N8 O18'
_chemical_formula_weight         1175.14
_chemical_name_systematic
;
Poly[[tris(\m~2~-4,4'-bipyridyl-\k^2^N:N')bis(\m~2~-nitrato-\k^2^O,O')
hexa-\m~2~oxo-dioxodimolybdenumtricopper(II)] tetrahydrate]
;
_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                79.523(3)
_cell_angle_beta                 64.995(3)
_cell_angle_gamma                70.574(3)
_cell_formula_units_Z            1
_cell_length_a                   9.6189(18)
_cell_length_b                   10.639(2)
_cell_length_c                   10.986(2)
_cell_measurement_reflns_used    5192
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.276
_cell_measurement_theta_min      2.439
_cell_volume                     959.8(3)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0173
_diffrn_reflns_av_sigmaI/netI    0.0258
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7441
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.360
_exptl_absorpt_correction_T_max  0.765
_exptl_absorpt_correction_T_min  0.704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.064
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             583
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.534
_refine_diff_density_min         -0.802
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         3703
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0454P)^2^+2.0607P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0851
_reflns_number_gt                3482
_reflns_number_total             3703
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6280.cif
_cod_data_source_block           I
_cod_database_code               2207235
_cod_database_fobs_code          2207235