Information card for entry 4310592

Structure parameters

• Formula: C48 H48 F6 N2 O13 P3 Ru3
• Calculated formula: C48 H48 F6 N2 O13 P3 Ru3
• SMILES: [Ru]1234([P](C#CP(c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)[O]5[Ru]6([O]=C(O1)C)(OC(=[O]2)C)([O]=C(O[Ru]5([O]=C(O6)C)(OC(=[O]3)C)([O]=C(O4)C)[n]1ccccc1)C)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Syntheses, Structures, and Redox Properties of Dimeric Triruthenium Clusters Bridged by Bis(diphenylphosphino)acetylene and -ethylene
• Authors of publication: Jing-Lin Chen; Li-Yi Zhang; Zhong-Ning Chen; Li-Bin Gao; Masaaki Abe; Yoichi Sasaki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1481 - 1490
• a: 13.1584 ± 0.0004 Å
• b: 14.4013 ± 0.0003 Å
• c: 15.1836 ± 0.0005 Å
• α: 104.721 ± 0.001°
• β: 92.13°
• γ: 99.83 ± 0.001°
• Cell volume: 2732.15 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1092
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No