Information card for entry 4067302

Structure parameters

• Formula: C26 H41 Mo N5 O6 Ti
• Calculated formula: C26 H41 Mo N5 O6 Ti
• SMILES: C(#[O])[Mo](C#[O])(C#[O])(C#[O])(C#[O])C1N(C)C[N](C)(C)[Ti](=Nc2c(cccc2C(C)C)C(C)C)([NH](C)C)(N(C)C)[O]=1
• 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: 10.1513 ± 0.0008 Å
• b: 13.5008 ± 0.0011 Å
• c: 15.0634 ± 0.0013 Å
• α: 100.794 ± 0.004°
• β: 108.827 ± 0.004°
• γ: 103.517 ± 0.004°
• Cell volume: 1820.8 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0507
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No