Information card for entry 4066923

Structure parameters

• Formula: C37 H35 Mo N3 O6 P2
• Calculated formula: C37 H35 Mo N3 O6 P2
• SMILES: [Mo]123([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(n1nc(c(n1)C(=O)OC)C(=O)OC)(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: 14.3865 ± 0.0006 Å
• b: 12.1193 ± 0.0005 Å
• c: 21.6669 ± 0.0009 Å
• α: 90°
• β: 108.286 ± 0.001°
• γ: 90°
• Cell volume: 3587 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No