Hexathiophenalenyliums cations: syntheses, structures, and redox chemistry.
Bag, Pradip; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.; Organic letters 15 (2013) 1198–1201; doi:10.1021/ol400452f

data_1511905
_publ_section_title
;
 Hexathiophenalenyliums cations: syntheses, structures, and redox
 chemistry.
;
_journal_issue                   6
_journal_name_full               'Organic letters'
_journal_page_first              1198
_journal_page_last               1201
_journal_paper_doi               10.1021/ol400452f
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C37 H3 B F20 S6'
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_cell_length_b                   21.7894(6)
_cell_length_c                   16.1875(5)
_cell_measurement_reflns_used    9570
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_cell_measurement_theta_min      2.28
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_limit_l_min       -22
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_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    0.531
_exptl_absorpt_correction_T_max  0.8707
_exptl_absorpt_correction_T_min  0.7726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.953
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'needle frag'
_exptl_crystal_F_000             2024
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0447P)^2^+2.5149P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            ol400452f_si_001.cif
_cod_data_source_block           for_[5+TFAB-]
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1511905