Information card for entry 4081327

Structure parameters

• Formula: C37 H48 Mo N2 O
• Calculated formula: C37 H48 Mo N2 O
• Title of publication: Z-Selective Ring-Opening Metathesis Polymerization of 3-Substituted Cyclooctenes by Monoaryloxide Pyrrolide Imido Alkylidene (MAP) Catalysts of Molybdenum and Tungsten
• Authors of publication: Jeong, Hyangsoo; Kozera, Daniel J.; Schrock, Richard R.; Smith, Stacey J.; Zhang, Jihua; Ren, Ning; Hillmyer, Marc A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4843
• a: 11.8579 ± 0.0005 Å
• b: 16.24 ± 0.0007 Å
• c: 18.1978 ± 0.0008 Å
• α: 90°
• β: 92.534 ± 0.001°
• γ: 90°
• Cell volume: 3501 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No