Crystallography Open Database

Information card for entry 7103459

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Structure parameters

Formula	C40 H10 F16 Ge
Calculated formula	C40 H10 F16 Ge
SMILES	[Ge]1(c2ccccc2)(c2ccccc2)c2c(F)c(C#Cc3c(F)c(F)c(F)c(F)c3F)c(F)c(F)c2c2c1c(c(c(F)c2F)C#Cc1c(F)c(F)c(F)c(F)c1F)F
Title of publication	Synthesis and characterization of 2,7-bis(pentafluorophenylethynyl)hexafluoroheterofluorenes: new materials with high electron affinities.
Authors of publication	Geramita, Katharine; McBee, Jennifer; Tao, Yuefei; Segalman, Rachel A; Tilley, T Don
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal issue	41
Pages of publication	5107 - 5109
a	7.9222 ± 0.0016 Å
b	15.049 ± 0.003 Å
c	15.823 ± 0.003 Å
α	111.63 ± 0.03°
β	102.29 ± 0.03°
γ	101.99 ± 0.03°
Cell volume	1626.1 ± 0.8 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	1183 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	0.543
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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