Janus head type lone pair–π–lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene
Mehrotra, Sonam; Angamuthu, Raja; CrystEngComm 18 (2016) 4438–; doi:10.1039/C6CE00496B

data_7225132
_publ_section_title
;
 Janus head type lone pair--\p--lone pair and S&#x22EF;F&#x22EF;S
 interactions in retaining hexafluorobenzene
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              4438
_journal_paper_doi               10.1039/C6CE00496B
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C27 H27 N3 S3'
_chemical_formula_sum            'C27 H27 N3 S3'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-11-13 deposited with the CCDC.
2016-04-13 downloaded from the CCDC.
;
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0519P)^2^+1.2268P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3005
_reflns_number_total             4651
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7225126--7225134.cif.'
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