Reactivity of Organothorium Complexes with TEMPO.
Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.; Inorganic chemistry 53 (2014) 8455–8463; doi:10.1021/ic501034b

data_4340564
_publ_section_title
;
 Reactivity of Organothorium Complexes with TEMPO.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8455
_journal_page_last               8463
_journal_paper_doi               10.1021/ic501034b
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C36 H57 N O Th'
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_chemical_name_systematic
; 
 ? 
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_space_group_name_Hall           '-P 2ac 2ab'
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_symmetry_space_group_name_Hall  '-P 2ac 2ab'
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_cell_length_c                   18.8533(13)
_cell_measurement_reflns_used    9273
_cell_measurement_temperature    88(2)
_cell_measurement_theta_max      29.14
_cell_measurement_theta_min      2.25
_cell_volume                     6399.2(8)
_computing_cell_refinement       'Bruker SAINT 8.32b, 2012'
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_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_meas      ?
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_exptl_crystal_description       prism
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_refine_diff_density_max         0.882
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         7631
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_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0188
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0132P)^2^+7.8388P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0379
_refine_ls_wR_factor_ref         0.0407
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6396
_reflns_number_total             7631
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic501034b_si_002.cif
_cod_data_source_block           rrl10
_cod_depositor_comments
;Adding full bibliography for 4340558--4340566.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4340564
_shelx_estimated_absorpt_t_min   0.213
_shelx_estimated_absorpt_t_max   0.540
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_shelx_res_checksum              35966
_shelx_hkl_checksum              87810