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_4323354
_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            'C50 H45 Cl Cr O4 P2 Ru'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Tue Dec 12 07:42:16 1995'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                104.22(3)
_cell_angle_beta                 103.50(2)
_cell_angle_gamma                90.81(3)
_cell_formula_units_Z            2.00
_cell_length_a                   14.033(4)
_cell_length_b                   16.163(6)
_cell_length_c                   10.411(3)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      21.44
_cell_measurement_theta_min      18.50
_cell_volume                     2219.4(13)
_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)'
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.02599
_diffrn_orient_matrix_UB_12      -0.04893
_diffrn_orient_matrix_UB_13      -0.08183
_diffrn_orient_matrix_UB_21      -0.05112
_diffrn_orient_matrix_UB_22      0.03602
_diffrn_orient_matrix_UB_23      -0.03769
_diffrn_orient_matrix_UB_31      0.04597
_diffrn_orient_matrix_UB_32      0.02015
_diffrn_orient_matrix_UB_33      -0.04823
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  3.16
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            5972
_diffrn_reflns_theta_max         22.4981
_diffrn_standards_decay_%        -1.05
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 7.616
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.885
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_description       prismatic
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_refine_diff_density_max         -1.84390
_refine_diff_density_min         3.15850
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.760
_refine_ls_matrix_type           diagonal
_refine_ls_number_parameters     300
_refine_ls_number_reflns         3702
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.081
_refine_ls_shift/esd_max         2.4660
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.096
_cod_data_source_file            ic951630i_3.cif
_cod_data_source_block           master_file_afc7*.xtl
_cod_original_cell_volume        2219(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C50 H45 O4 Cr P2 Cl Ru'
_cod_database_code               4323354