Cooperative intermolecular S–Cl⋯O and F⋯F associations in the crystal packing of α,ω-di(sulfonyl chloride) perfluoroalkanes, ClSO2(CF2)nSO2Cl, where n = 4, 6
Liu, Xiaolin; McMillen, Colin D.; Thrasher, Joseph S.; New Journal of Chemistry 42 (2018) 10484–; doi:10.1039/C8NJ00536B

data_7057344
_publ_section_title
;
 Cooperative intermolecular S--Cl&#x22EF;O and F&#x22EF;F associations in
 the crystal packing of \a,\w-di(sulfonyl chloride) perfluoroalkanes,
 ClSO2(CF2)nSO2Cl, where n = 4, 6
;
_journal_issue                   13
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10484
_journal_paper_doi               10.1039/C8NJ00536B
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C4 Cl2 F8 O4 S2'
_chemical_formula_weight         399.06
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-01-29 deposited with the CCDC.
2018-04-25 downloaded from the CCDC.
;
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_computing_cell_refinement       'Rigaku CrystalClear'
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_diffrn_measurement_device_type  'Mercury CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0387
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_diffrn_reflns_theta_full        25.239
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0392P)^2^+2.3138P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1808
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_cod_depositor_comments
'Adding full bibliography for 7057344--7057345.cif.'
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_shelx_shelxl_version_number     2014/7
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