Information card for entry 4106945

Structure parameters

• Formula: C42 H77 Ge N5 P2 Si
• Calculated formula: C42 H77 Ge N5 P2 Si
• SMILES: [Si]1(N(C(C)(C)C)P3(N1C(C)(C)C)=C([Ge]N(C1=C3[C@@H]2CC[C@H]1C2)c1c(cccc1C(C)C)C(C)C)P(N(C(C)C)C(C)C)N(C(C)C)C(C)C)(C)C.[Si]1(N(C(C)(C)C)P3(N1C(C)(C)C)=C([Ge]N(C1=C3[C@H]2CC[C@@H]1C2)c1c(cccc1C(C)C)C(C)C)P(N(C(C)C)C(C)C)N(C(C)C)C(C)C)(C)C
• Title of publication: Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes
• Authors of publication: Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15930 - 15933
• a: 12.0149 ± 0.0004 Å
• b: 13.333 ± 0.0005 Å
• c: 28.4929 ± 0.0009 Å
• α: 90°
• β: 95.319 ± 0.001°
• γ: 90°
• Cell volume: 4544.8 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.055
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No