Crystallography Open Database

Information card for entry 2209649

2209648 << 2209649 >> 2209650

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Structure parameters

Chemical name	dichlorotris(pentafluorophenyl)phosphorane
Formula	C18 Cl2 F15 P
Calculated formula	C18 Cl2 F15 P
SMILES	c1(c(c(c(c(c1F)F)F)F)F)P(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(Cl)Cl
Title of publication	An orthorhombic polymorph of dichlorotris(pentafluorophenyl)phosphorane
Authors of publication	Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	7
Pages of publication	o2872 - o2874
a	16.7367 ± 0.0005 Å
b	11.3713 ± 0.0002 Å
c	19.9214 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3791.4 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0593
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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