Information card for entry 4319428

Structure parameters

• Formula: C76 H72 F12 N18 O2 P2 Ru2
• Calculated formula: C76 H72 F12 N18 O2 P2 Ru2
• SMILES: c1[n]2c(c3cccc[n]3[Ru]342([n]2ccccc2c2[n]3c(ccc2)c2[n]4cccc2)N=C=Nc2ccc(/N=N/c3ccc(N=C=N[Ru]456([n]7ccccc7c7cccc[n]47)[n]4ccccc4c4[n]5c(ccc4)c4[n]6cccc4)cc3)cc2)ccc1.[P](F)(F)(F)(F)(F)[F-].N#CC.O(CC)CC.[P](F)(F)(F)(F)(F)[F-].N#CC.O(CC)CC
• Title of publication: A Donor-Acceptor-Donor Bridging Ligand in a Class III Mixed-Valence Complex
• Authors of publication: Peter J. Mosher; Glenn P. A. Yap; Robert J. Crutchley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1189 - 1195
• a: 12.48 ± 0.002 Å
• b: 13.09 ± 0.003 Å
• c: 14.147 ± 0.003 Å
• α: 79.792 ± 0.003°
• β: 68.027 ± 0.003°
• γ: 64.447 ± 0.003°
• Cell volume: 1933.2 ± 0.7 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: 0.0717
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No