Stabilization of molecular lanthanide polysulfides by bulky scorpionate ligands.
Kühling, Marcel; McDonald, Robert; Liebing, Phil; Hilfert, Liane; Ferguson, Michael J.; Takats, Josef; Edelmann, Frank T.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 10118–10121; doi:10.1039/c6dt01439a

data_7039141
_publ_section_title
;
 Stabilization of molecular lanthanide polysulfides by bulky scorpionate
 ligands.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10118
_journal_page_last               10121
_journal_paper_doi               10.1039/c6dt01439a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C36 H62 B N8 S5 Sm, C4 H8 O'
_chemical_formula_sum            'C40 H70 B N8 O S5 Sm'
_chemical_formula_weight         1000.50
_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-04-07 deposited with the CCDC.
2016-04-28 downloaded from the CCDC.
;
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_cell_angle_gamma                116.9095(3)
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_cell_measurement_temperature    173(2)
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_cell_volume                     2490.68(14)
_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXT-2014 (Sheldrick 2014)'
_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21641
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_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
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_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0290
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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^)+(0.0346P)^2^+1.4156P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0641
_refine_ls_wR_factor_ref         0.0661
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10149
_reflns_number_total             10973
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt01439a2.cif
_cod_data_source_block           tak1506
_cod_depositor_comments
'Adding full bibliography for 7039139--7039141.cif.'
_cod_database_code               7039141
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_shelx_res_checksum              10880
_solvent_exptl_crystal_recrystallization_method THF