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_7705048
_publ_section_title
;
 Chalcogen complexes of anionic N-heterocyclic carbenes.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13207
_journal_page_last               13217
_journal_paper_doi               10.1039/d0dt02392b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C57 H59 B F15 Li N2 O4'
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_chemical_properties_physical    Air-sensitive,Moisture-sensitive
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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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'SHELXL-2018/3 (G. M. Sheldrick, Acta Cryst., 2008, A64, 112-122)'
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'SHELXT-2014/5 (G. M. Sheldrick, Acta Cryst., 2015, A71, 3-8)'
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_diffrn_measured_fraction_theta_max 0.988
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'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
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_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.21a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.286
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_exptl_crystal_size_min          0.126
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_refine_ls_number_reflns         11276
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0438
_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^)+(0.0567P)^2^+3.0345P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1159
_refine_ls_wR_factor_ref         0.1177
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10489
_reflns_number_total             11276
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7705040--7705050.cif.'
_cod_original_cell_volume        5338.85(15)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7705048
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.750
_shelx_estimated_absorpt_t_max   0.877
_shelx_res_checksum              35195