Homoleptic U(iii) and U(iv) amidate complexes.
Straub, M. D.; Hohloch, S.; Minasian, S. G.; Arnold, J.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 1772–1776; doi:10.1039/c7dt04813k

data_7045319
_publ_section_title
;
 Homoleptic U(iii) and U(iv) amidate complexes.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1772
_journal_page_last               1776
_journal_paper_doi               10.1039/c7dt04813k
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C29 H50 K N O7'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-01-05 deposited with the CCDC.
2018-01-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.007(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.692(5)
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_cell_length_c                   14.814(9)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.41
_cell_measurement_theta_min      2.53
_cell_volume                     3085(3)
_computing_cell_refinement       'SAINT V8.37A Bruker, Madison WI'
_computing_data_collection       'Bruker APEX3 Bruker, Madison WI'
_computing_data_reduction        'SAINT V8.37A Bruker, Madison WI'
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_computing_structure_solution    'SHELXT 2014/4 Bruker, Madison WI'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.997
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'Synchrotron (ALS station 11.3.1) equipped with Bruker D8 goniometer and Photon 100 detector'
_diffrn_measurement_method       'omega phi scans, shutterless'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7749
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_unetI/netI     0.0195
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
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_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32500
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        27.706
_diffrn_reflns_theta_max         30.411
_diffrn_reflns_theta_min         2.534
_diffrn_source                   'Advanced light source, station 11.3.1'
_exptl_absorpt_coefficient_mu    0.268
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.623
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2014/5 - Bruker AXS, Madison WI'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.214
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.19
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_exptl_crystal_size_min          0.12
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_refine_diff_density_min         -0.288
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       0.0073(5)
_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'
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         7183
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0388P)^2^+1.0597P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0814
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6509
_reflns_number_total             7183
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           K(TDA)
_cod_depositor_comments
'Adding full bibliography for 7045319--7045321.cif.'
_cod_database_code               7045319
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              1461