Crystallography Open Database

Information card for entry 2020496

2020495 << 2020496 >> 2020497

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Structure parameters

Chemical name	Bis[(pentafluorophenyl)diphenylphosphane-κ<i>P</i>]bis(2,3,5,6-tetrafluorophenylthiolato-κ<i>S</i>)platinum(II)
Formula	C48 H22 F18 P2 Pt S2
Calculated formula	C48 H22 F18 P2 Pt S2
SMILES	[Pt](Sc1c(F)c(F)cc(F)c1F)(Sc1c(F)c(F)cc(F)c1F)([P](c1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1)[P](c1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1
Title of publication	<i>Cis</i>‒<i>trans</i> isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands
Authors of publication	Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	4
Pages of publication	268 - 273
a	20.348 ± 0.003 Å
b	19.511 ± 0.002 Å
c	22.6059 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	8974.8 ± 1.8 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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