Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.
Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen; Dalton transactions (Cambridge, England : 2003) 49 (2020) 9795–9803; doi:10.1039/d0dt01705a

data_7704776
_publ_section_title
;
 Energy transfer in supramolecular
 [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9795
_journal_page_last               9803
_journal_paper_doi               10.1039/d0dt01705a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety
'C108.20 H160.36 I42 Lu2 N16 O16.42 S9.42 W18'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-07-15 deposited with the CCDC.	2020-06-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_volume                     10763(8)
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_computing_structure_solution
'XT, VERSION 2014/5,SHELXS-13 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker APEX II DUO'
_diffrn_measurement_method       'omega scans'
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_diffrn_source                   'ImuS-focus sealed tube'
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_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.3189
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    3.468
_exptl_crystal_description       needle
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     315
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0639
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0387P)^2^+1076.0609P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1468
_refine_ls_wR_factor_ref         0.1722
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14684
_reflns_number_total             19021
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01705a2.cif
_cod_data_source_block           LuKrypt
_cod_depositor_comments
'Adding full bibliography for 7704770--7704776.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum
'C108.20 H160.36 I42 Lu2 N16 O16.42 S9.42 W18'
_cod_database_code               7704776
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              77277
_shelx_hkl_checksum              11084