Crystallography Open Database

Information card for entry 2016427

2016426 << 2016427 >> 2016428

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Structure parameters

Chemical name	hexaphenylhexaphosphinane benzene solvate
Formula	C42 H36 P6
Calculated formula	C42 H36 P6
SMILES	c1ccccc1.c1ccc(cc1)P1P(c2ccccc2)P(c2ccccc2)P(P(P1c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Hexaphenylhexaphosphinane benzene solvate
Authors of publication	Jan J. Weigand; Andreas Decken; Neil Burford
Journal of publication	Acta Crystallographica Section C
Year of publication	2008
Journal volume	64
Journal issue	2
Pages of publication	o64 - o66
a	12.533 ± 0.005 Å
b	12.533 ± 0.005 Å
c	20.763 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	2824.4 ± 1.8 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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