Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.
Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John; Chemical science 9 (2018) 4317–4324; doi:10.1039/c8sc01260a

data_1549297
_publ_section_title
;
 Chemical structure and bonding in a thorium(iii)-aluminum
 heterobimetallic complex.
;
_journal_issue                   18
_journal_name_full               'Chemical science'
_journal_page_first              4317
_journal_page_last               4324
_journal_paper_doi               10.1039/c8sc01260a
_journal_volume                  9
_journal_year                    2018
_chemical_formula_moiety         'C36 H72 Al Si3 U'
_chemical_formula_sum            'C36 H72 Al Si3 U'
_chemical_formula_weight         854.21
_chemical_name_common            Cp"2U(III)Alanate
_chemical_name_systematic        Cp"2U(III)Alanate
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_crystal_system      triclinic
_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'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-02-08 deposited with the CCDC.
2018-04-16 downloaded from the CCDC.
;
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_cell_angle_gamma                66.898(2)
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_cell_measurement_theta_min      2.22
_cell_volume                     2094.82(17)
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_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT V8.37A'
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
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_diffrn_reflns_number            58071
_diffrn_reflns_point_group_measured_fraction_full 0.999
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'Re-crystallisation from solvent: hexamethyldisiloxane'
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         7694
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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^)+(0.0223P)^2^+2.2544P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0437
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_reflns_number_gt                7342
_reflns_number_total             7694
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1549296--1549299.cif.'
_cod_database_code               1549297
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.502
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_shelx_res_checksum              34159