Information card for entry 7720694

Structure parameters

• Formula: C20 H48 B14 O S Ti2
• Calculated formula: C20 H45.5 B14 O 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
• Year of publication: 2026
• a: 18.9743 ± 0.0011 Å
• b: 19.9731 ± 0.0012 Å
• c: 18.609 ± 0.0012 Å
• α: 90°
• β: 117.496 ± 0.002°
• γ: 90°
• Cell volume: 6255.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1233
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No