Information card for entry 7007077

Structure parameters

• Formula: C42 H52 B11 Cl2 P3 Ru Sn
• Calculated formula: C42 H50.111 B11 Cl2 P3 Ru Sn
• Title of publication: Bonding modes of stanna-closo-dodecaborate: eta1(Sn) to eta3(BH) rearrangement reactions in zwitterionic stanna-closo-dodecaborate ruthenium complexes.
• Authors of publication: Gädt, Torben; Eichele, Klaus; Wesemann, Lars
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 22
• Pages of publication: 2706 - 2713
• a: 14.5342 ± 0.0005 Å
• b: 19.8489 ± 0.0006 Å
• c: 16.8374 ± 0.0006 Å
• α: 90°
• β: 102.678 ± 0.003°
• γ: 90°
• Cell volume: 4739 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No