Uranium and thorium complexes of the phosphaethynolate ion
Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John; Chem. Sci. 6 (2015) 6379–; doi:10.1039/C5SC02150B

data_1529207
_publ_section_title
;
 Uranium and thorium complexes of the phosphaethynolate ion
;
_journal_issue                   11
_journal_name_full               'Chem. Sci.'
_journal_page_first              6379
_journal_paper_doi               10.1039/C5SC02150B
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C43.5 H73 N7 S Si6 U'
_chemical_formula_weight         1132.71
_chemical_name_common            U(NCS)(amid)3.toluene
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-06-14 deposited with the CCDC.
2015-07-17 downloaded from the CCDC.
;
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_cell_angle_gamma                75.259(2)
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_cell_measurement_theta_min      2.54
_cell_volume                     2733.3(3)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0242
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_diffrn_reflns_Laue_measured_fraction_full 0.995
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+14.5765P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5sc02150b2.cif
_cod_data_source_block           7
_cod_depositor_comments
'Adding full bibliography for 1529203--1529209.cif.'
_cod_original_formula_sum        'C43.50 H73 N7 S Si6 U'
_cod_database_code               1529207
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_shelx_res_checksum              39749