Information card for entry 4089583

Structure parameters

• Formula: C46 H59 B Mo N2 O
• Calculated formula: C46 H59 B Mo N2 O
• SMILES: [Mo](OB(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=Nc1c(C(C)C)cccc1C(C)C)(n1c(ccc1C)C)=CC(c1ccccc1)(C)C
• Title of publication: New Boron-Containing Molybdenum Imido Alkylidene Complexes for Linear Olefin Homometathesis
• Authors of publication: Nasr, Alexandre; Breuil, Pierre-Alain R.; Silva, Duarte C.; Berthod, Mikaël; Dellus, Nicolas; Jeanneau, Erwann; Lemaire, Marc; Olivier-Bourbigou, Hélène
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5320
• a: 12.2186 ± 0.0004 Å
• b: 12.3335 ± 0.0004 Å
• c: 15.0955 ± 0.0004 Å
• α: 97.298 ± 0.002°
• β: 96.974 ± 0.002°
• γ: 111.621 ± 0.003°
• Cell volume: 2062.47 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9315
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No