Information card for entry 4072842

Structure parameters

• Formula: C31 H26 F12 Ru Sb2
• Calculated formula: C31 H26 F12 Ru Sb2
• SMILES: [Ru]123456789%10([cH]%11[c]%122C=Cc2ccc%13ccc%14C=C[c]3([cH]1%11)[c]15[c]4%12c2c%13c%141)[c]1(C)[c]6([c]7(C)[c]8(C)[c]9([cH]%101)C)C.[Sb](F)(F)([F-])(F)(F)F.[Sb](F)(F)(F)([F-])(F)F
• Title of publication: η6-Coordination of the Curved Carbon Surface of Corannulene (C20H10) to (η6-arene)M2+(M = Ru, Os)
• Authors of publication: Zhu, Bolin; Ellern, Arkady; Sygula, Andrzej; Sygula, Renata; Angelici, Robert J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1721
• a: 18.03 ± 0.004 Å
• b: 15.11 ± 0.003 Å
• c: 23.476 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6396 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No