Information card for entry 4310660

Structure parameters

• Formula: C96 H100 F12 N22 O6 P2 Ru2
• Calculated formula: C96 H100 F12 N22 O6 P2 Ru2
• SMILES: [P](F)(F)(F)(F)(F)[F-].c12c3cc(cc4[n]3[Ru]3([n]5c4cccc5)([n]4c(cccc4)c4[n]3cccc4)([n]2cccc1)N=C=Nc1ccc(cc1)/N=N/c1ccc(N=C=N[Ru]234([n]5ccccc5c5cc(cc([n]25)c2[n]3cccc2)c2ccc(cc2)C)[n]2ccccc2c2[n]4cccc2)cc1)c1ccc(cc1)C.N(C=O)(C)C.O=CN(C)C.C(=O)N(C)C.[P](F)(F)(F)(F)(F)[F-].N(C=O)(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Outer Sphere Perturbation of Delocalized Mixed-Valence Complexes
• Authors of publication: Mousa Al-Noaimi; Glenn P. A. Yap; Robert J. Crutchley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1770 - 1778
• a: 13.1504 ± 0.0018 Å
• b: 13.4147 ± 0.0018 Å
• c: 14.3338 ± 0.0018 Å
• α: 76.176 ± 0.003°
• β: 81.325 ± 0.003°
• γ: 79.954 ± 0.003°
• Cell volume: 2401.9 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No