Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.
Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.; Journal of the American Chemical Society 138 (2016) 4036–4045; doi:10.1021/jacs.5b11508

data_4129893
_publ_section_title
;
 Expanding Thorium Hydride Chemistry Through Th&#x00B2;&#x207A;, Including
 the Synthesis of a Mixed-Valent Th&#x2074;&#x207A;/Th&#x00B3;&#x207A;
 Hydride Complex.
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_journal_issue                   12
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4036
_journal_page_last               4045
_journal_paper_doi               10.1021/jacs.5b11508
_journal_volume                  138
_journal_year                    2016
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_computing_cell_refinement       'Bruker SAINT 8.34a, 2013'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0189P)^2^+3.0415P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             20299
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           rrl42
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_formula_sum        'C62 H127 K O7.50 Si8 Th2'
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_shelx_estimated_absorpt_t_max   0.475
_shelx_res_checksum              13287
_shelx_hkl_checksum              66729