Information card for entry 4065978

Structure parameters

• Formula: C42 H67 Ge O P
• Calculated formula: C42 H67 Ge O P
• SMILES: [Ge]1(OC(C1=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)/C=C/C)(C(C)(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: The Reactivity of Phosphagermaallene Mes*P═C═Ge(t-Bu)Tip toward Aldehydes and Ketones: an Experimental and Theoretical Study
• Authors of publication: Ouhsaine, F.; André, E.; Sotiropoulos, J. M.; Escudié, J.; Ranaivonjatovo, H.; Gornitzka, H.; Saffon, N.; Miqueu, K.; Lazraq, M.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2566
• a: 10.2392 ± 0.0006 Å
• b: 15.4743 ± 0.001 Å
• c: 25.5101 ± 0.0016 Å
• α: 90°
• β: 92.992 ± 0.001°
• γ: 90°
• Cell volume: 4036.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No