Information card for entry 4308873

Structure parameters

• Formula: C64 H100 K2 O12 Ru2
• Calculated formula: C64 H100 K2 O12 Ru2
• SMILES: [Ru]1234[O]5c6c(cc(cc6[O]1[K]167([O]3c3c([O]2[K]285([O]5[Ru]94([O]6c4c(cc(cc54)C(C)(C)C)C(C)(C)C)[O]7c4c(cc(cc4[O]29)C(C)(C)C)C(C)(C)C)[O](C)CC[O]8C)c(cc(c3)C(C)(C)C)C(C)(C)C)[O](C)CC[O]1C)C(C)(C)C)C(C)(C)C
• Title of publication: Effects of Countercations on the Structures and Redox and Spectroscopic Properties of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds
• Authors of publication: Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3810 - 3817
• a: 30.572 ± 0.003 Å
• b: 30.572 ± 0.003 Å
• c: 19.309 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15629 ± 3 ų
• Cell temperature: 223.2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No