Crystallography Open Database

Information card for entry 7106980

Preview

Coordinates	7106980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H13 F15 Ge N4 O
Calculated formula	C39 H13 F15 Ge N4 O
SMILES	[Ge]123(OCC)n4c5C(=c6[n]3c(C(=c3n2c(=C(c2n1c(c4cc5)cc2)c1c(F)c(F)c(F)c(F)c1F)cc3)c1c(F)c(F)c(F)c(F)c1F)cc6)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Reactivity studies of a corrole germanium hydride complex with aldehydes, olefins and alkyl halides
Authors of publication	Huayi Fang; Zhen Ling; Penelope J. Brothers; Xuefeng Fu
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	11677
a	31.403 ± 0.018 Å
b	15.539 ± 0.009 Å
c	7.241 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3533 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0893
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.1987
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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