Crystallography Open Database

Information card for entry 2005179

2005178 << 2005179 >> 2005180

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Coordinates	2005179.cif
Original IUCr paper	HTML

Structure parameters

Common name	PNP tetrakis(pentafluorphenyl)gallat
Chemical name	Bis(triphenylphosphin)iminium tetrakis(pentafluorphenyl)gallat
Formula	C60 H30 F20 Ga N P2
Calculated formula	C60 H30 F20 Ga N P2
SMILES	N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Ga](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Bis(triphenylphosphin)iminium-Tetrakis(pentafluorphenyl)gallat
Authors of publication	Tebbe, K.-F.; Gilles, T.; Conrad, F.; Tyrra, W.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	7
Pages of publication	1663 - 1666
a	13.473 ± 0.002 Å
b	25.444 ± 0.004 Å
c	16.158 ± 0.004 Å
α	90°
β	100.01 ± 0.02°
γ	90°
Cell volume	5454.8 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2127
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for all reflections	0.0871
Weighted residual factors for significantly intense reflections	0.0607
Goodness-of-fit parameter for all reflections	0.986
Goodness-of-fit parameter for significantly intense reflections	1.218
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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