Crystallography Open Database

Information card for entry 4313735

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Structure parameters

Common name	HP(C6F5)2
Formula	C12 H F10 P
Calculated formula	C12 H F10 P
SMILES	P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Bis(trifluoromethyl)phosphane and Bis(pentafluorophenyl)phosphane and Their Pentacarbonyl Tungsten Complexes: Improved Synthesis and an Experimental and Density Functional Study
Authors of publication	Berthold Hoge; Tobias Herrmann; Christoph Thösen; Ingo Pantenburg
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3623 - 3632
a	9.39 ± 0.004 Å
b	7.41 ± 0.006 Å
c	19.516 ± 0.005 Å
α	90°
β	110.734 ± 0.013°
γ	90°
Cell volume	1270 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1716
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for all reflections	0.1877
Weighted residual factors for significantly intense reflections	0.1308
Goodness-of-fit parameter for all reflections	0.874
Goodness-of-fit parameter for significantly intense reflections	1.163
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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