Information card for entry 4067301

Structure parameters

• Formula: C15 H19 Mo N O3
• Calculated formula: C15 H19 Mo N O3
• SMILES: C([Mo]12345(C#[O])(C#[O])[c]6([c]1([c]2([cH]3[cH]4[cH]56)C(C)C)N)C(C)C)#[O]
• Title of publication: Imido−Titanium/Molybdenum Heterobimetallic Systems. Switching from η6-Arene to Fischer-Type Aminocarbene Complexes by Tuning Reactivity Conditions
• Authors of publication: Lorber, Christian; Vendier, Laure
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1127
• a: 7.8652 ± 0.0011 Å
• b: 13.455 ± 0.002 Å
• c: 14.318 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1515.2 ± 0.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No