<i>catena</i>-Poly[[tetrakis(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')dimolybdenum(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Han, Li-Juan; Acta Crystallographica Section E 67 (2011) m1235–m1236; doi:10.1107/S1600536811031734

data_2231572
_publ_section_title
;
 <i>catena</i>-Poly[[tetrakis(\m-pentafluorobenzoato-\k^2^<i>O</i>:<i>O</i>')dimolybdenum(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
;
_journal_coeditor_code           JJ2094
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1235
_journal_page_last               m1236
_journal_paper_doi               10.1107/S1600536811031734
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Mo2 (C7 F5 O2)4 (C10 H8 N2)]'
_chemical_formula_moiety         'C28 F20 Mo2 O8, C10 H8 N2'
_chemical_formula_sum            'C38 H8 F20 Mo2 N2 O8'
_chemical_formula_weight         1192.34
_chemical_name_common            Mo2(OOCC6F5)4(C10H8N2)
_chemical_name_systematic
;
<i>catena</i>-Poly[[tetrakis(\m-pentafluorobenzoato-
\k^2^<i>O</i>:<i>O'</i>)dimolybdenum(II)]-\m-4,4'-bipyridine-
\k^2^<i>N</i>:<i>N'</i>]
;
_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                101.1580(10)
_cell_angle_beta                 94.6970(10)
_cell_angle_gamma                99.0920(10)
_cell_formula_units_Z            1
_cell_length_a                   8.8858(8)
_cell_length_b                   9.9311(9)
_cell_length_c                   11.1978(10)
_cell_measurement_reflns_used    4122
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.52
_cell_volume                     950.83(15)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEXII CCD '
_diffrn_measurement_method       \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  0.0128
_diffrn_reflns_av_sigmaI/netI    0.0220
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4937
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.12
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.817
_exptl_absorpt_correction_T_max  0.884
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.082
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             578
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.319
_refine_diff_density_min         -0.465
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         3294
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0262
_refine_ls_R_factor_gt           0.0239
_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^)+(0.0323P)^2^+0.6373P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0592
_refine_ls_wR_factor_ref         0.0606
_reflns_number_gt                3072
_reflns_number_total             3294
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            jj2094.cif
_cod_data_source_block           I
_cod_database_code               2231572
_cod_database_fobs_code          2231572