The "Wanderlust" of Me<sub>3</sub>Si groups in rare-earth triple-decker complexes: a combined experimental and computational study.
Lorenz, Volker; Liebing, Phil; Bathelier, Adrien; Engelhardt, Felix; Maron, Laurent; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.; Chemical communications (Cambridge, England) 54 (2018) 10280–10283; doi:10.1039/c8cc05317k

data_7122216
_publ_section_title
;
 The &quot;Wanderlust&quot; of Me<sub>3</sub>Si groups in rare-earth
 triple-decker complexes: a combined experimental and computational study.
;
_journal_issue                   73
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10280
_journal_page_last               10283
_journal_paper_doi               10.1039/c8cc05317k
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C42 H72 Si6 Tm2'
_chemical_formula_sum            'C42 H72 Si6 Tm2'
_chemical_formula_weight         1083.39
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-04-25 deposited with the CCDC.
2018-08-21 downloaded from the CCDC.
;
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_diffrn_measurement_details      ' 217 frames, detector distance = 100 mm'
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_diffrn_radiation_monochromator  'plane graphite'
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0725
_refine_ls_R_factor_gt           0.0572
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0607P)^2^+23.0915P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1514
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15761
_reflns_number_total             19326
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc05317k2.cif
_cod_data_source_block           fe0094_a
_cod_depositor_comments
'Adding full bibliography for 7122212--7122216.cif.'
_cod_database_code               7122216
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              72909