Information card for entry 4105323

Structure parameters

• Formula: C55 H61 Ge N
• Calculated formula: C55 H61 Ge N
• SMILES: [GeH](N)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1(ccccc1)C
• Title of publication: Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination
• Authors of publication: Yang Peng; Jing-Dong Guo; Bobby D. Ellis; Zhongliang Zhu; James C. Fettinger; Shigeru Nagase; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16272 - 16282
• a: 8.5642 ± 0.001 Å
• b: 21.275 ± 0.003 Å
• c: 23.86 ± 0.003 Å
• α: 90°
• β: 89.973 ± 0.002°
• γ: 90°
• Cell volume: 4347.4 ± 1 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: 0.0333
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No