Information card for entry 4078304

Structure parameters

• Formula: C48 H54 Ge N2
• Calculated formula: C48 H54 Ge N2
• SMILES: [GeH](NN)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(c2c(C)cc(cc2C)C)cccc1c1c(cc(cc1C)C)C
• Title of publication: Experimental and Computational Study of Auxiliary Molecular Effects on the Mechanism of the Addition of Hydrazines to a Low-Valent Germanium Complex
• Authors of publication: Brown, Zachary D.; Guo, Jing-Dong; Nagase, Shigeru; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3768
• a: 10.5748 ± 0.0004 Å
• b: 16.2861 ± 0.0005 Å
• c: 22.4857 ± 0.0008 Å
• α: 90°
• β: 93.622 ± 0.001°
• γ: 90°
• Cell volume: 3864.8 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No