Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes
Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.; Chem. Sci. 7 (2016) 4624–; doi:10.1039/C6SC00632A

data_1543105
_publ_section_title
;
 Steric control of redox events in organo-uranium chemistry: synthesis and
 characterisation of U(v) oxo and nitrido complexes
;
_journal_issue                   7
_journal_name_full               'Chem. Sci.'
_journal_page_first              4624
_journal_paper_doi               10.1039/C6SC00632A
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C55 H95 K O7 Si2 U'
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_chemical_name_systematic
;
 ?
;
_chemical_properties_physical
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
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;
2016-01-26 deposited with the CCDC.
2016-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i
;
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
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_diffrn_ambient_temperature      173(2)
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_diffrn_reflns_av_unetI/netI     0.0604
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
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_diffrn_reflns_limit_k_min       -24
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_diffrn_reflns_theta_min         3.470
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;
CrysAlisPro, Agilent Technologies,Version 1.171.37.34i
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rod
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'Re-crystallisation from solvent: toluene'
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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^)+(0.0246P)^2^+0.0683P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0720
_refine_ls_wR_factor_ref         0.0744
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5357
_reflns_number_total             6004
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6sc00632a2.cif
_cod_data_source_block           11
_cod_depositor_comments
'Adding full bibliography for 1543100--1543105.cif.'
_cod_original_formula_sum        'C27.50 H47.50 K0.50 O3.50 Si U0.50'
_cod_database_code               1543105
_shelx_estimated_absorpt_t_min   0.466
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_shelxl_version_number           2013-3
_shelx_res_checksum              75916