Information card for entry 4067300

Structure parameters

• Formula: C19 H31 Cl2 Mo N3 O3 Ti
• Calculated formula: C19 H31 Cl2 Mo N3 O3 Ti
• SMILES: C(#[O])[Mo]12345(C#[O])(C#[O])[c]6([cH]1[cH]2[cH]3[c]4([c]56N=[Ti]([NH](C)C)([NH](C)C)(Cl)Cl)C(C)C)C(C)C
• 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: 10.2058 ± 0.0003 Å
• b: 11.2671 ± 0.0003 Å
• c: 12.201 ± 0.0004 Å
• α: 92.43 ± 0.002°
• β: 108.638 ± 0.001°
• γ: 108.186 ± 0.001°
• Cell volume: 1247.16 ± 0.07 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No