Information card for entry 7029480

Structure parameters

• Formula: C37 H48 Ge N2
• Calculated formula: C37 H48 Ge N2
• SMILES: [Ge]1N([C@@H](C2=C(N1c1c(C(C)C)cccc1C(C)C)CCCC2)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Mechanistic studies of CO2 reduction to methanol mediated by an N-heterocyclic germylene hydride.
• Authors of publication: Tan, Gengwen; Wang, Wenyuan; Blom, Burgert; Driess, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 16
• Pages of publication: 6006 - 6011
• a: 9.0288 ± 0.0005 Å
• b: 9.0787 ± 0.0004 Å
• c: 11.5349 ± 0.0006 Å
• α: 71.459 ± 0.004°
• β: 80.307 ± 0.004°
• γ: 65.603 ± 0.005°
• Cell volume: 815.64 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No