Information card for entry 4064371

Structure parameters

• Chemical name: CpNHtBu)Ti(u-NNMe2)2TiCp(n1-Cp)
• Formula: C23 H37 N5 Ti2
• Calculated formula: C23 H37 N5 Ti2
• SMILES: [Ti]123456(NC(C)(C)C)(N([Ti]789%10(N2N(C)C)([cH]2[cH]%10[cH]9[cH]8[cH]72)C2C=CC=C2)[N]1(C)C)[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: New Sandwich and Half-Sandwich Titanium Hydrazido Compounds
• Authors of publication: Selby, Jonathan D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2295
• a: 8.7798 ± 0.0001 Å
• b: 10.3728 ± 0.0001 Å
• c: 27.0892 ± 0.0003 Å
• α: 90°
• β: 93.715 ± 0.001°
• γ: 90°
• Cell volume: 2461.86 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No