Information card for entry 4117597

Structure parameters

• Formula: C118 H138 Ge2 N2
• Calculated formula: C118 H138 Ge2 N2
• 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: 10.3226 ± 0.0003 Å
• b: 20.8136 ± 0.0006 Å
• c: 23.2182 ± 0.0006 Å
• α: 91.7591 ± 0.0012°
• β: 102.708 ± 0.0014°
• γ: 94.3537 ± 0.0015°
• Cell volume: 4846.4 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No