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_7704775
_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         'C38.46 H78.09 Cs2 I14 N4 O13.40 W6'
_chemical_formula_sum            'C38.45 H78.08 Cs2 I14 N4 O13.4 W6'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-07-01 deposited with the CCDC.	2020-06-30 downloaded from the CCDC.
;
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
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_diffrn_measured_fraction_theta_max 0.494
_diffrn_measurement_device_type  'STOE IPDS I'
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
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_exptl_absorpt_correction_T_max  0.1501
_exptl_absorpt_correction_T_min  0.0627
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Red / X-Shape'
_exptl_crystal_colour            yellow
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_exptl_crystal_description       prism
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_exptl_crystal_size_min          0.06
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_refine_ls_number_restraints     246
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0769
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_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^)+(0.0555P)^2^+40.8163P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1052
_refine_ls_wR_factor_ref         0.1204
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5489
_reflns_number_total             7542
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01705a2.cif
_cod_data_source_block           CsKrypt3
_cod_depositor_comments
'Adding full bibliography for 7704770--7704776.cif.'
_cod_original_cell_volume        4100.2(2)
_cod_original_formula_sum        'C38.45 H78.08 Cs2 I14 N4 O13.40 W6'
_cod_database_code               7704775
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_shelx_res_checksum              37778
_shelx_hkl_checksum              73769