Crystallography Open Database

Information card for entry 4302910

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Structure parameters

Formula	C47 H40 B F15 Ge N2
Calculated formula	C47 H40 B F15 Ge N2
SMILES	[Ge]1N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(c(c(c1F)F)F)F)c1c(C(C)C)cccc1C(C)C
Title of publication	Dehydrogenation of LGeH by a Lewis N-Heterocyclic Carbene Borane Pair under the Formation of L'Ge and its Reactions with B(C6F5)3 and Trimethylsilyl Diazomethane: An Unprecedented Rearrangement of a Diazocompound to an Isonitrile
Authors of publication	Anukul Jana; Ina Objartel; Herbert W. Roesky; Dietmar Stalke
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7645 - 7649
a	12.169 ± 0.0013 Å
b	13.7136 ± 0.0015 Å
c	15.0404 ± 0.0016 Å
α	109.989 ± 0.001°
β	91.181 ± 0.001°
γ	108.789 ± 0.001°
Cell volume	2208.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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