Synthesis and structural study of new metallasilsesquioxanes of potassium and uranium.
Gießmann, Stephan; Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Fischer, Axel; Edelmann, Frank T.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 2415–2419; doi:10.1039/c7dt00006e

data_7041852
_publ_section_title
;
 Synthesis and structural study of new metallasilsesquioxanes of potassium
 and uranium.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2415
_journal_page_last               2419
_journal_paper_doi               10.1039/c7dt00006e
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C84 H154 O24 Si14 U, C6 H16 N2'
_chemical_formula_sum            'C90 H170 N2 O24 Si14 U'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/4
_audit_update_record
;
2016-12-19 deposited with the CCDC.
2017-01-26 downloaded from the CCDC.
;
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_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      1.5
_cell_volume                     11631.6(10)
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_computing_data_reduction        'Bruker AXS SMART CCD System'
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_diffrn_ambient_temperature      143(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker AXS SMART CCD System'
_diffrn_measurement_method       omega-scans
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0513
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_diffrn_reflns_limit_k_min       -18
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_diffrn_reflns_number            71138
_diffrn_reflns_point_group_measured_fraction_full 0.999
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'Re-crystallisation from solvent: n-hexane'
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0707
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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^)+(0.0211P)^2^+12.0374P] where P=(Fo^2^+2c^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0851
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18932
_reflns_number_total             25375
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7041851--7041852.cif.'
_cod_database_code               7041852
_shelx_shelxl_version_number     2016/4
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