Information card for entry 7720692

Structure parameters

• Formula: C26.5 H51 B15 Cl S Ti2
• Calculated formula: C20 H46 B15 S Ti2
• Title of publication: A 14-vertex bud-shaped [(Cp*Ti)₂B₁₂H₁₈] cluster.
• Authors of publication: Bairagi, Subhash; Chatterjee, Debipada; Patel, Deepak Kumar; Acharya, Swetashree; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 14
• Pages of publication: 5437 - 5442
• a: 28.441 ± 0.003 Å
• b: 9.578 ± 0.0009 Å
• c: 14.684 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4000 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.1096
• Weighted residual factors for significantly intense reflections: 0.2544
• Weighted residual factors for all reflections included in the refinement: 0.2713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No