Information card for entry 7007076

Structure parameters

• Formula: C53 H68 B11 N6 P3 Ru Sn
• Calculated formula: C53 H68 B11 N6 P3 Ru Sn
• SMILES: C(C)#[N][Ru]12([N]#CC)([P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[Sn]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]456[BH]678[BH]791[BH]1%102[BH]%1134[BH]5671.C(#N)C.C(#N)C.C(C)#N.C(#N)C
• 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: 21.172 ± 0.005 Å
• b: 17.293 ± 0.009 Å
• c: 17.706 ± 0.006 Å
• α: 90°
• β: 114.1 ± 0.02°
• γ: 90°
• Cell volume: 5918 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0885
• 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