<i>Cis</i>‒<i>trans</i> isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands
Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo; Acta Crystallographica Section C 72 (2016) 268–273; doi:10.1107/S2053229616003132

data_2020495
_publ_section_title
;
 <i>Cis</i>--<i>trans</i> isomerism in a square-planar platinum(II)
 complex bearing bulky fluorinated phosphane ligands
;
_journal_coeditor_code           LY3024
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              268
_journal_page_last               273
_journal_paper_doi               10.1107/S2053229616003132
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Pt (C6 H F4 S)2 (C18 H10 F5 P1)2]'
_chemical_formula_moiety         'C48 H22 F18 P2 Pt S2'
_chemical_formula_sum            'C48 H22 F18 P2 Pt S2'
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_chemical_name_systematic
Bis[(pentafluorophenyl)diphenylphosphane-\k<i>P</i>]bis(2,3,5,6-tetrafluorophenylthiolato-\k<i>S</i>)platinum(II)
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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;
XSCANS (Bruker, 1997)
;
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;
XSCANS (Bruker, 1997)
;
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;
XSCANS (Bruker, 1997)
;
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SHELXTL (Sheldrick, 2008)
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SHELXL2014 (Sheldrick, 2015)
;
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SHELXL2014 (Sheldrick, 2015)
;
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;
SHELXS97 (Sheldrick, 2008)
;
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_diffrn_reflns_theta_min         1.921
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;
(XSCANS; Bruker, 1997)
;
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_refine_diff_density_min         -0.905
_refine_ls_extinction_coef       0.0105(6)
_refine_ls_extinction_expression Fc*=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2014 (Sheldrick, 2015)
;
_refine_ls_goodness_of_fit_ref   1.074
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_refine_ls_number_reflns         6346
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0217
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0356P)^2^+0.2480P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0566
_reflns_number_gt                6346
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           trans
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