Information card for entry 4314924

Structure parameters

• Formula: C23 H38 N3 Ti
• Calculated formula: C23 H38 N3 Ti
• SMILES: [Ti]123456789([N](=C(N1C(C)C)N(C(C)C)C(C)C)C(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: A Family of Heteroleptic Titanium Guanidinates: Synthesis, Thermolysis, and Surface Reactivity
• Authors of publication: Yamile A. Wasslen; Eva Tois; Suvi Haukka; Kevin A. Kreisel; Glenn P. A. Yap; Mathew D. Halls; Seán T. Barry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1976 - 1982
• a: 8.8431 ± 0.0011 Å
• b: 29.036 ± 0.004 Å
• c: 9.0884 ± 0.0012 Å
• α: 90°
• β: 110.817 ± 0.002°
• γ: 90°
• Cell volume: 2181.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No