Information card for entry 4103831

Structure parameters

• Common name: AJ-12
• Formula: C36 H50 Ge N2 S2
• Calculated formula: C36 H50 Ge N2 S2
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C)C=C(C)N(c2c(cccc2C(C)C)C(C)C)[Ge]1(S)=S.c1(ccccc1)C
• Title of publication: A Germanium(II) Hydride as an Effective Reagent for Hydrogermylation Reactions
• Authors of publication: Anukul Jana; Debajyoti Ghoshal; Herbert W. Roesky; Ina Objartel; Gerald Schwab; Dietmar Stalke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 1288 - 1293
• a: 12.7426 ± 0.001 Å
• b: 15.655 ± 0.0012 Å
• c: 18.0931 ± 0.0014 Å
• α: 90°
• β: 106.335 ± 0.001°
• γ: 90°
• Cell volume: 3463.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0274
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No