Synthesis and Characterization of a Benzene-Dimolybdenum Complex with a New Bridging Mode
Yuji Kajita; Takahiko Ogawa; Jun Matsumoto; Hideki Masuda; Inorganic Chemistry 48 (2009) 9069–9071; doi:10.1021/ic901360c

data_4303329
_publ_section_title
;
Synthesis and Characterization of a Benzene-Dimolybdenum Complex with a
New Bridging Mode
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9069
_journal_page_last               9071
_journal_paper_doi               10.1021/ic901360c
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C65.50 H84 Mo2 N4 '
_chemical_formula_sum            'C65.5 H84 Mo2 N4'
_chemical_formula_weight         1119.29
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            16
_cell_length_a                   33.6846(4)
_cell_length_b                   33.6846(4)
_cell_length_c                   20.3429(3)
_cell_measurement_reflns_used    26163
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     23082.1(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SAPI91
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.063
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            91642
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.476
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            darkred
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             9424.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.96
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.946
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     725
_refine_ls_number_reflns         8418
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0341
_reflns_number_gt                8329
_reflns_number_total             13221
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic901360c_si_002.cif
_cod_data_source_block           1C6H6
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'C65.50 H84 Mo2 N4 '
_cod_database_code               4303329