Information card for entry 7118414

Structure parameters

• Formula: C36 H47 Ge Mo N3 O6
• Calculated formula: C36 H47 Ge Mo N3 O6
• SMILES: [Ge]1(=C2N(C(C(C)(C)C)=[N]1c1c(C)cc(C)cc1C)CCN2C12CC3CC(C1)CC(C2)C3)[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O].C1CCCO1
• Title of publication: Synthesis, characterization, and electronic structures of a methyl germyliumylidene ion and germylone-group VI metal complexes
• Authors of publication: Bochao Su; Rakesh Ganguly; Yongxin Li; Rei Kinjo
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 613
• a: 10.3172 ± 0.0009 Å
• b: 22.6231 ± 0.0018 Å
• c: 15.3939 ± 0.0012 Å
• α: 90°
• β: 97.423 ± 0.003°
• γ: 90°
• Cell volume: 3562.9 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.0985
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No