Electronic effects in homogeneous Ziegler‒Natta catalysts: Zr‒Rh early‒late heterobimetallic complexes †
Takayama, Chikako; Yamaguchi, Yoshitaka; Mise, Takaya; Suzuki, Noriyuki; Journal of the Chemical Society, Dalton Transactions  (2001) 948–; doi:10.1039/b008491n

data_7010408
_publ_section_title
;
 Electronic effects in homogeneous Ziegler--Natta catalysts: Zr--Rh
 early--late heterobimetallic complexes&#x200A;&#x2020;
;
_journal_issue                   6
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              948
_journal_paper_doi               10.1039/b008491n
_journal_year                    2001
_chemical_formula_moiety         'C22 H30 Cl2 Si Zr '
_chemical_formula_sum            'C22 H30 Cl2 Si Zr'
_chemical_formula_weight         484.69
_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'
_cell_angle_alpha                73.448(5)
_cell_angle_beta                 89.832(7)
_cell_angle_gamma                63.875(5)
_cell_formula_units_Z            2
_cell_length_a                   9.7793(8)
_cell_length_b                   10.2885(5)
_cell_length_c                   12.913(1)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      18.1
_cell_measurement_theta_min      10.5
_cell_volume                     1106.77(15)
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.0016
_diffrn_measured_fraction_theta_max 1.0016
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.010
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5366
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.796
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_size_max          0.580
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.41
_refine_ls_extinction_coef       0.011(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.252
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4581
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.3269
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00099|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0475
_reflns_number_gt                4581
_reflns_number_total             5071
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b008491n.txt
_cod_data_source_block           yam732/(vinyl)2Si(CpMe4)2Z
_cod_original_cell_volume        1106.8(2)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C22 H30 Cl2 Si Zr '
_cod_database_code               7010408