A Novel Octanuclear Vanadium(V) Oxide Cluster Complex Having an Unprecedented Neutral V8O20 Core Functionalized with 4,4'-Di-tert-butyl-2,2'-bipyridine.
Kodama, Shintaro; Taya, Nobuto; Ishii, Youichi; Inorganic chemistry 53 (2014) 2754–2756; doi:10.1021/ic4031393

data_4337676
_publ_section_title
;
 A Novel Octanuclear Vanadium(V) Oxide Cluster Complex Having an
 Unprecedented Neutral V8O20 Core Functionalized with
 4,4'-Di-tert-butyl-2,2'-bipyridine.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2754
_journal_page_last               2756
_journal_paper_doi               10.1021/ic4031393
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C42 H72 N4 O16 V4'
_chemical_formula_sum            'C42 H72 N4 O16 V4'
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_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 107.9280(17)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   15.487(3)
_cell_length_b                   9.6470(15)
_cell_length_c                   18.471(3)
_cell_measurement_reflns_used    6308
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      3.01
_cell_volume                     2625.6(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0486
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
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_diffrn_reflns_limit_l_min       -23
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_diffrn_reflns_theta_max         27.49
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_exptl_absorpt_correction_T_max  0.891
_exptl_absorpt_correction_T_min  0.581
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.660
_exptl_crystal_size_mid          0.310
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_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0659P)^2^+1.2296P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1444
_reflns_number_gt                4952
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic4031393_si_002.cif
_cod_data_source_block           compound_2
_cod_original_cell_volume        2625.7(8)
_cod_database_code               4337676