[2π+2π] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for the Synthesis of U(IV) κ(2)-Ureato Compounds.
Tatebe, Caleb J.; Zeller, Matthias; Bart, Suzanne C.; Inorganic chemistry 56 (2017) 1956–1965; doi:10.1021/acs.inorgchem.6b02547

data_4345185
_publ_section_title
;
 [2\p+2\p] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for
 the Synthesis of U(IV) \k(2)-Ureato Compounds.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1956
_journal_page_last               1965
_journal_paper_doi               10.1021/acs.inorgchem.6b02547
_journal_volume                  56
_journal_year                    2017
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_chemical_formula_sum            'C40 H57 B2 N13 U'
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_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
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'CrystalClear-SM Expert 2.1 b32 (Rigaku, 2014)'
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_computing_structure_refinement
;  
SHELXL-2014/7 (Sheldrick, 2014), 
SHELXLE Rev714 (H\"ubschle et al., 2011)
;
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;
Rigaku Rapid II curved image plate diffractometer
;
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_diffrn_reflns_av_unetI/netI     0.0389
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick, 2014)'
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_refine_ls_number_parameters     300
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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^)+(0.0607P)^2^+10.8722P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1262
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_reflns_number_gt                2866
_reflns_number_total             4471
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           ct987_sq
_cod_depositor_comments
'Adding full bibliography for 4345183--4345186.cif.'
_cod_original_cell_volume        4574.7(16)
_cod_database_code               4345185
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.052
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_shelx_res_checksum              3604
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