Information card for entry 7114389

Structure parameters

• Formula: C21 H35 Mo N5
• Calculated formula: C21 H35 Mo N5
• SMILES: [Mo]123(n4cccc4C[N]2(Cc2n1ccc2)C)([N](C(=C3CC)CC)(C)C)N(C)C
• Title of publication: Insertion of an electron-rich alkyne into a molybdenum amido bond
• Authors of publication: Katayev, Evgeny; Li, Yahong; Odom, Aaron L.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 838
• a: 7.9289 ± 0.0013 Å
• b: 31.762 ± 0.004 Å
• c: 8.9905 ± 0.0017 Å
• α: 90°
• β: 101.546 ± 0.013°
• γ: 90°
• Cell volume: 2218.3 ± 0.6 ų
• Cell temperature: 293 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No