Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands
Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing; Chemical Science 11 (2020) 7585–7592; doi:10.1039/D0SC00389A

data_1557609
_publ_section_title
;
 Construction of heterometallic clusters with multiple uranium--metal
 bonds by using dianionic nitrogen--phosphorus ligands
;
_journal_issue                   29
_journal_name_full               'Chemical Science'
_journal_page_first              7585
_journal_page_last               7592
_journal_paper_doi               10.1039/D0SC00389A
_journal_volume                  11
_journal_year                    2020
_chemical_formula_sum            'C44 H96 Cl4 N4 Ni2 O5 P4 U2'
_chemical_formula_weight         1620.40
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-01-21 deposited with the CCDC.	2020-03-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.6
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measurement_device_type  'BRUKER Smart Apex CCD area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1182
_diffrn_reflns_av_unetI/netI     0.0834
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
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_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.930
_exptl_absorpt_coefficient_mu    6.192
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_description       block
_exptl_crystal_F_000             3184
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_exptl_crystal_size_min          0.1
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_refine_diff_density_min         -2.743
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     581
_refine_ls_number_reflns         10800
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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^)+(0.0859P)^2^+45.2425P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1383
_refine_ls_wR_factor_ref         0.1495
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9064
_reflns_number_total             10800
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0sc00389a2.cif
_cod_data_source_block           f0808
_cod_depositor_comments
;Adding full bibliography for 1557604--1557610.cif.

 Adding full bibliography for 1557604--1557610.cif.
;
_cod_original_cell_volume        6130.5(13)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557609
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_shelx_res_checksum              19329