Tris[(1,2,3-η)-1-ethylindenyl]methylthorium(IV)
Spirlet, M. R.; Rebizant, J.; Bettonville, S.; Goffart, J.; Acta Crystallographica Section C 49 (1993) 1138–1140; doi:10.1107/S0108270192012897

data_2001609
_publ_section_title
;
 Tris[(1,2,3-\h)-1-ethylindenyl]methylthorium(IV)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1138
_journal_page_last               1140
_journal_paper_doi               10.1107/S0108270192012897
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C34 H36 Th'
_chemical_formula_weight         676.7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source
'IntTabIV (also for anomalous-dispersion corrections)'
_cell_angle_alpha                90.0
_cell_angle_beta                 95.2139(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   9.914(3)
_cell_length_b                   30.950(10)
_cell_length_c                   18.145(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      22
_cell_measurement_theta_min      8
_cell_volume                     5545(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6980
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        <0.02
_diffrn_standards_interval_time  30
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.570
_exptl_absorpt_correction_T_max  99.95%
_exptl_absorpt_correction_T_min  88.50%
_exptl_absorpt_correction_type
;empirical, using a set of reflections with \c values
close to 90\%
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         2.35
_refine_diff_density_min         -1.51
_refine_ls_extinction_coef       g=2.71E-9
_refine_ls_extinction_method     F~c~=F~c~/[1+g(F~c~)^2^Lp]
_refine_ls_goodness_of_fit_obs   1.595
_refine_ls_hydrogen_treatment    'H atoms not included'
_refine_ls_number_parameters     292
_refine_ls_number_reflns         3289
_refine_ls_R_factor_obs          0.053
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;1/[\s(F~o~)]^2^ {\s(F~o~) = \s(F~o~^2^)/2F~o~; \s(F~o~^2^) =
[\s(I)-(0.07I)^2^]^1/2^/Lp
;
_refine_ls_wR_factor_obs         0.068
_reflns_number_observed          3289
_reflns_number_total             6980
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1017.cif
_cod_data_source_block           mu1017_structure_1_of_1
_cod_original_cell_volume        5554(6)
_cod_database_code               2001609