Information card for entry 4065464

Structure parameters

• Formula: C29 H45 Li N4
• Calculated formula: C29 H45 Li N4
• SMILES: [N]1(=C(C)C=C(N(c2c(cc(cc2C)C)C)[Li]21[N](C)(C)CC[N]2(C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis, Characterization, and Reactivity of an N-Heterocyclic Germanium(II) Hydride: Reversible Hydrogermylation of a Phosphaalkyne
• Authors of publication: Choong, Sam L.; Woodul, William D.; Schenk, Christian; Stasch, Andreas; Richards, Anne F.; Jones, Cameron
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5543
• a: 9.981 ± 0.002 Å
• b: 15.019 ± 0.003 Å
• c: 19.008 ± 0.004 Å
• α: 90°
• β: 95.16 ± 0.03°
• γ: 90°
• Cell volume: 2837.8 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1609
• 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