Information card for entry 4066920

Structure parameters

• Formula: C11 H15 Mo N7 O2
• Calculated formula: C11 H15 Mo N7 O2
• SMILES: [Mo]123(n4nc(nn4)/C=C/C#N)([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: 10.6504 ± 0.0007 Å
• b: 10.7583 ± 0.0007 Å
• c: 14.8762 ± 0.0009 Å
• α: 94.424 ± 0.001°
• β: 90.975 ± 0.001°
• γ: 118.888 ± 0.001°
• Cell volume: 1485.09 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No