Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.
Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.; Inorganic chemistry 53 (2014) 3730–; doi:10.1021/ic500012x

data_4337919
_publ_section_title
;
 Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium
 Complexes.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3730
_journal_paper_doi               10.1021/ic500012x
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C41 H46 I1 N3 U1,2(C7 H8)'
_chemical_formula_sum            'C55 H62 I N3 U'
_chemical_formula_weight         1130.06
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_symmetry_cell_setting           triclinic
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_cell_angle_alpha                75.149(3)
_cell_angle_beta                 77.997(2)
_cell_angle_gamma                73.826(3)
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_cell_measurement_temperature    150.00(2)
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_cell_measurement_theta_min      1
_cell_volume                     2409.06(19)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1996)'
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_computing_molecular_graphics
;
    ORTEP (Johnson, 1976)
    PLATON (Spek, 2003)
;
_computing_publication_material  'SHELX97(Sheldrick, 2008) and local programs'
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_computing_structure_solution
;
 PATTY (DIRDIF, Beurskins, 2008)
;
_diffrn_ambient_temperature      150.00(2)
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_diffrn_measured_fraction_theta_max 0.9600
_diffrn_measurement_device_type  Nonius_KappaCCD
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_diffrn_radiation_monochromator  'graphite 002'
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_diffrn_reflns_limit_l_max       20
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_diffrn_reflns_theta_max         27.82
_diffrn_reflns_theta_min         2.23
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.048
_exptl_absorpt_correction_T_max  0.2329
_exptl_absorpt_correction_T_min  0.1935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            1brown
_exptl_crystal_density_diffrn    1.558
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_exptl_crystal_description       plate
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_refine_ls_number_reflns         10954
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_refine_ls_R_factor_all          0.045
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_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'1/[\s^2^(Fo^2^)+(0.0240P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3  '
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.059
_refine_ls_wR_factor_ref         0.063
_reflns_number_gt                8998
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_reflns_threshold_expression     >2.0\s(I)
_cod_data_source_file            ic500012x_si_001.cif
_cod_data_source_block           JK3161
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc ' changed to 'calc'
according to
/usr/data/users/saulius/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4337916--4337924.cif.

The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        2409.06(18)
_cod_original_formula_sum        'C55 H62 I1 N3 U1'
_cod_database_code               4337919