Information card for entry 4067304

Structure parameters

• Formula: C26 H43 Mo N5 O6 Ti
• Calculated formula: C26 H43 Mo N5 O6 Ti
• SMILES: C(N(C)C)(=[O][Ti](=Nc1c(cccc1C(C)C)C(C)C)(N(C)C)([NH](C)C)[NH](C)C)[Mo](C#[O])(C#[O])(C#[O])(C#[O])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: 10.6408 ± 0.0005 Å
• b: 25.6907 ± 0.001 Å
• c: 13.1933 ± 0.0007 Å
• α: 90°
• β: 113.001 ± 0.006°
• γ: 90°
• Cell volume: 3319.9 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0479
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No