Di-μ-chloro-bis[chloro(η^5^-indenyl)methylhafnium(IV)]
Morris, Robert J.; Shaw, Scott L.; Huffman, John C.; Bollinger, John C.; Acta Crystallographica Section C 54 (1998) 1617–1618; doi:10.1107/S0108270198005368

data_2007812
_publ_section_title
;
 Di-\m-chloro-bis[chloro(\h^5^-indenyl)methylhafnium(IV)]
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1617
_journal_page_last               1618
_journal_paper_doi               10.1107/S0108270198005368
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          '[Hf2 Cl4 (C H3)2 (C9 H7)2]'
_chemical_formula_moiety         'C20 H20 Cl4 Hf2'
_chemical_formula_sum            'C20 H20 Cl4 Hf2'
_chemical_formula_weight         759.17
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method
'minor manual editing of SDT2CIF v. 1.0 BETA  output'
_cell_angle_alpha                90
_cell_angle_beta                 90.944(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.7771(12)
_cell_length_b                   13.148(2)
_cell_length_c                   10.0967(15)
_cell_measurement_reflns_used    56
_cell_measurement_temperature    100
_cell_measurement_theta_max      10.30
_cell_measurement_theta_min      9.59
_cell_volume                     1032.3(3)
_computing_cell_refinement       'XTEL (local software)'
_computing_data_collection       'PCPS (local software)'
_computing_data_reduction        XTEL
_computing_molecular_graphics    XTEL
_computing_publication_material  XTEL
_computing_structure_refinement  XTEL
_computing_structure_solution    'SHELXTL/PC (Sheldrick, 1990)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean n/a
_diffrn_measured_fraction_theta_full 0
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Refurbished Picker diffractometer'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       3
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3330
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.04
_diffrn_standards_decay_%        -1.3
_diffrn_standards_interval_count 400
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    10.55
_exptl_absorpt_correction_T_max  0.743
_exptl_absorpt_correction_T_min  0.567
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(Meulenaer & Tompa, 1965)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.442
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.23
_refine_diff_density_min         0.20
_refine_ls_extinction_coef       '0.5(3) \\times 10^-7^'
_refine_ls_extinction_method     'Larson (1967)'
_refine_ls_goodness_of_fit_ref   1.259
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     161
_refine_ls_number_reflns         2015
_refine_ls_R_factor_gt           0.028
_refine_ls_shift/su_max          0.05
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+(0.04F)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.028
_reflns_number_gt                2015
_reflns_number_total             2366
_reflns_threshold_expression     'F^2^ > 2.33\s(F^2^)'
_cod_data_source_file            fr1091.cif
_cod_data_source_block           MSC94904
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2007812
_cod_database_fobs_code          2007812