Information card for entry 7015209

Structure parameters

• Common name: TITANIUM CLUSTER
• Formula: C108 H180 Cl12 O16 S20 Sn12 Ti12
• Calculated formula: C108 H180 Cl12 O16 S20 Sn12 Ti12
• Title of publication: Synthesis and structural studies of an electron deficient hexatitanium cluster dication stabilized by novel tritin anions.
• Authors of publication: Singh, Neetu; Bhattacharya, Subrato
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2707 - 2710
• a: 21.687 ± 0.005 Å
• b: 20.079 ± 0.005 Å
• c: 22.8 ± 0.005 Å
• α: 90 ± 0.005°
• β: 114.56 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 9030 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.226
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No