Information card for entry 4342273

Structure parameters

• Formula: C54 H72 Li2 N6
• Calculated formula: C54 H72 Li2 N6
• SMILES: [Li]1[N](=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Li][N]1=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.
• Authors of publication: Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 2040 - 2049
• a: 10.9982 ± 0.0002 Å
• b: 18.7313 ± 0.0002 Å
• c: 12.0421 ± 0.0002 Å
• α: 90°
• β: 94.2202 ± 0.0006°
• γ: 90°
• Cell volume: 2474.07 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No