Information card for entry 4072392

Structure parameters

• Formula: C42 H61 Mo N3
• Calculated formula: C42 H61 Mo N3
• SMILES: [Mo]1234(=CC(C)(C)c5ccccc5)(=Nc5c(cccc5C(C)C)C(C)C)(n5c(ccc5C(C)C)C(C)C)[N]5[C]1(=[CH]2[CH]3=[C]45C(C)C)C(C)C
• Title of publication: Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes
• Authors of publication: Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6570
• a: 9.8591 ± 0.0011 Å
• b: 12.2228 ± 0.0014 Å
• c: 17.486 ± 0.002 Å
• α: 90.304 ± 0.002°
• β: 102.933 ± 0.002°
• γ: 110.709 ± 0.002°
• Cell volume: 1912.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0718
• 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