Heterobimetallic Complexes with Phenylcyclopentadienyl Ligand: Syntheses and Structures of Tricarbonylchromium-η6,η5-Phenylcyclopentadienyl-Transition Metal Complexes1
Changtao Qian; Jianhua Guo; Jie Sun; Jian Chen; Peiju Zheng; Inorganic Chemistry 36 (1997) 1286–1295; doi:10.1021/ic951630i

data_4323352
_publ_contact_author
;
    Changtao Qian
 354 Fenglin Ru, Sahnghai, China; zip code  200032
;
_publ_contact_author_email       ' sunjie@pub.sioc.ac.cn '
_publ_contact_author_fax         ' 64166128'
_publ_contact_author_phone       ' 86 - 21 - 64163300 - 3301 '
_publ_section_title
;
 Heterobimetallic Complexes with Phenylcyclopentadienyl Ligand: Syntheses
 and Structures of
 Tricarbonylchromium-\h6,\h5-Phenylcyclopentadienyl-Transition Metal
 Complexes1
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1286
_journal_page_last               1295
_journal_paper_doi               10.1021/ic951630i
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C17 H9 Br Cr Mo O6'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Tue May 14 10:50:00 1996'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 104.46(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   14.685(2)
_cell_length_b                   8.509(3)
_cell_length_c                   14.960(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      26.45
_cell_measurement_theta_min      23.56
_cell_volume                     1810.1(8)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.06858
_diffrn_orient_matrix_UB_12      -0.00945
_diffrn_orient_matrix_UB_13      -0.00301
_diffrn_orient_matrix_UB_21      0.01269
_diffrn_orient_matrix_UB_22      -0.09744
_diffrn_orient_matrix_UB_23      0.03848
_diffrn_orient_matrix_UB_31      0.00905
_diffrn_orient_matrix_UB_32      0.06502
_diffrn_orient_matrix_UB_33      0.05723
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.48
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4606
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_diffrn_standards_decay_%        -0.64
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 35.363
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.583
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.971
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1040.00
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_refine_diff_density_max         -0.50200
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_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         2317
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0370
_refine_ls_shift/esd_max         0.0560
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0370
_cod_data_source_file            ic951630i_1.cif
_cod_data_source_block           master_file_afc7*.xtl
_cod_original_cell_volume        1810.0(7)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C17 H9 Br O6 Cr Mo'
_cod_database_code               4323352