Information card for entry 4332508

Structure parameters

• Formula: C19 H33 B10 N Ti
• Calculated formula: C19 H33 B10 N Ti
• SMILES: [Ti]12345(N(C)C)([C]6789[C]%10%11%12(C(C)(C)[c]%131[cH]5[cH]4[cH]3[cH]2%13)[BH]126[BH]347[BH]568[BH]79%10[BH]896[BH]645[BH]423[BH]2%111[BH]%1278[BH]9642)Cc1ccccc1
• Title of publication: Synthesis, Structural Characterization, Reactivity, and Thermal Stability of [η5:σ-Me2C(C5H4)(C2B10H10)]Ti(R)(NMe2)
• Authors of publication: Wang, Hong; Wang, Yaorong; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5675 - 5683
• a: 23.563 ± 0.005 Å
• b: 18.323 ± 0.004 Å
• c: 17.636 ± 0.004 Å
• α: 90°
• β: 107.07 ± 0.03°
• γ: 90°
• Cell volume: 7279 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No