Crystallography Open Database

Information card for entry 1556895

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Structure parameters

Chemical name	Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV)
Formula	C42 H19 F16 Os P S4
Calculated formula	C42 H19 F16 Os P S4
SMILES	[Os]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Sc1c(c(cc(c1F)F)F)F)(Sc1c(c(cc(c1F)F)F)F)(Sc1c(c(cc(c1F)F)F)F)Sc1c(c(cc(c1F)F)F)F
Title of publication	Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV): a monoclinic polymorph
Authors of publication	Zeleny, Paulina; Arroyo, Maribel; Meléndez, Lidia; Bernès, Sylvain
Journal of publication	IUCrData
Year of publication	2019
Journal volume	4
Journal issue	12
Pages of publication	x191622
a	12.4008 ± 0.0005 Å
b	13.8892 ± 0.0007 Å
c	25.2321 ± 0.0011 Å
α	90°
β	100.991 ± 0.003°
γ	90°
Cell volume	4266.2 ± 0.3 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	0.795
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.56083 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
246423 (current)	2020-01-01	cif/ hkl/ Adding structures of 1556895 via cif-deposit CGI script.	1556895.cif 1556895.hkl