Information card for entry 4061366

Structure parameters

• Formula: C32 H52 F12 N2 P2 Ru3 S6
• Calculated formula: C32 H52 F12 N2 P2 Ru3 S6
• SMILES: [Ru]1234567([Ru]89%10([Ru]%11%12%13%14%15%16([S]9CC[S]%12CC[S]%10%11)[c]9([c]%16([c]%15([c]%14([c]%139C)C)C)C)C)([S]2CC[S]1CC[S]38)[N]#CC)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Syntheses and X-ray Crystal Structures of Di- and Tri-Nuclear Trithiolate/thioether Bridged Complexes of Ruthenium . Electrochemistry of Mixed Valence Triruthenium Complexes.
• Authors of publication: Shin, Richard Y. C.; Ng, Sin Yee; Tan, Geok Kheng; Koh, Lip Lin; Khoo, Soo Beng; Goh, Lai Yoong; Webster, Richard
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 547 - 558
• a: 12.9198 ± 0.0005 Å
• b: 12.7364 ± 0.0005 Å
• c: 27.4189 ± 0.0011 Å
• α: 90°
• β: 95.538 ± 0.001°
• γ: 90°
• Cell volume: 4490.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No