Crystallography Open Database

Information card for entry 4117598

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Structure parameters

Formula	C49 H51 Ge N
Calculated formula	C49 H51 Ge N
SMILES	[GeH](c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C#N
Title of publication	A Germanium Isocyanide Complex Featuring (n → π*) Back-Bonding and Its Conversion to a Hydride/Cyanide Product via C-H Bond Activation under Mild Conditions
Authors of publication	Zachary D. Brown; Petra Vasko; James C. Fettinger; Heikki M. Tuononen; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	4045 - 4048
a	8.9615 ± 0.0004 Å
b	10.099 ± 0.0005 Å
c	23.368 ± 0.0011 Å
α	80.126 ± 0.001°
β	89.784 ± 0.001°
γ	67.889 ± 0.001°
Cell volume	1926.01 ± 0.16 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0453
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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