Information card for entry 4066919

Structure parameters

• Formula: C12 H22 Mo N6 O2
• Calculated formula: C12 H22 Mo N6 O2
• SMILES: [Mo]123(n4nc(nn4)C(C)(C)C)([NH2]CC[NH2]1)(C#[O])(C#[O])[CH2]=[CH]2C3
• Title of publication: [3+2] Cycloadditions of Molybdenum(II) Azide Complexes with Nitriles and an Alkyne
• Authors of publication: Liu, Fu-Chen; Lin, Yu-Liang; Yang, Pei-Shan; Lee, Gene-Hsian; Peng, Shie-Ming
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4282
• a: 11.1095 ± 0.0005 Å
• b: 12.4776 ± 0.0005 Å
• c: 12.109 ± 0.0005 Å
• α: 90°
• β: 101.432 ± 0.001°
• γ: 90°
• Cell volume: 1645.25 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0301
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No