A Stable Anionic Dithiolene Radical.
Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Blair, Soshawn A.; Johnson, Michael K.; Schaefer, 3rd, Henry F; Robinson, Gregory H.; Journal of the American Chemical Society 139 (2017) 6859–6862; doi:10.1021/jacs.7b03794

data_4126035
_publ_section_title
;
 A Stable Anionic Dithiolene Radical.
;
_journal_issue                   20
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6859
_journal_page_last               6862
_journal_paper_doi               10.1021/jacs.7b03794
_journal_volume                  139
_journal_year                    2017
_chemical_formula_sum            'C35 H50 Li N2 O2 S3'
_chemical_formula_weight         633.89
_space_group_crystal_system      monoclinic
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_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_measurement_reflns_used    9880
_cell_measurement_temperature    100(2)
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Quest PHOTON 100 CMOS'
_diffrn_measurement_method       'Phi\Omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         26.021
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_diffrn_source                   Imus
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_refine_ls_R_factor_all          0.0810
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0589P)^2^+4.3224P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4126034--4126036.cif.'
_cod_original_cell_volume        3642.0(12)
_cod_database_code               4126035
_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.979
_shelx_res_checksum              53597
_shelx_hkl_checksum              65778