Chalcogen complexes of anionic N-heterocyclic carbenes.
Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias; Dalton transactions (Cambridge, England : 2003) 49 (2020) 13207–13217; doi:10.1039/d0dt02392b

data_7705050
_publ_section_title
;
 Chalcogen complexes of anionic N-heterocyclic carbenes.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
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_journal_page_last               13217
_journal_paper_doi               10.1039/d0dt02392b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C39 H59 Li N2 O3 S '
_chemical_formula_sum            'C39 H59 Li N2 O3 S'
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;
2020-07-01 deposited with the CCDC.	2020-08-06 downloaded from the CCDC.
;
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'OLEX2 v1.2 (O. V. Dolomanov et al., J. Appl. Cryst., 2009, 42, 339-341)'
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'SHELXT-2014/5 (G. M. Sheldrick, Acta Cryst., 2015, A71, 3-8)'
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'XtaLAB Synergy, Single source at offset/far, HyPix'
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;
CrysAlisPro 1.171.40.21a (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.133
_exptl_crystal_description       prism
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.337
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0374
_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^)+(0.0479P)^2^+0.5540P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0976
_refine_ls_wR_factor_ref         0.1006
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9087
_reflns_number_total             10317
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7705040--7705050.cif.'
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_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.960
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