Information card for entry 4306798

Structure parameters

• Formula: C18 H24 Mo N3
• Calculated formula: C18 H24 Mo N3
• SMILES: [Mo]12345678(n9[c]4([cH]3[cH]2[c]19C)C)(n1[c]5(C)[cH]6[cH]7[c]81C)n1c(C)ccc1C
• Title of publication: Molybdenum Tris(2,5-dimethylpyrrolide), a Rare Homoleptic Molybdenum(III) Monomer
• Authors of publication: Keith M. Wampler; Richard R. Schrock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10226 - 10228
• a: 14.7639 ± 0.0014 Å
• b: 12.9291 ± 0.0012 Å
• c: 19.061 ± 0.0018 Å
• α: 90°
• β: 109.531 ± 0.002°
• γ: 90°
• Cell volume: 3429.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0767
• 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