Information card for entry 4100803

Structure parameters

• Formula: C60 H62 Fe2 N8 Ru2
• Calculated formula: C60 H62 Fe2 N8 Ru2
• SMILES: [Ru]1234([Ru]([N](=C(N1C)c1ccccc1)C)([N](=C(N2C)c1ccccc1)C)([N](=C(N3C)c1ccccc1)C)([N](=C(N4C)c1ccccc1)C)C#C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]8[cH]9[cH]71)C#C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]9[cH]8[cH]7[cH]61
• Title of publication: trans-Bis(alkynyl) Diruthenium(III) Tetra(amidinate): An Effective Facilitator of Electronic Delocalization
• Authors of publication: Guo-Lin Xu; Maria C. DeRosa; Robert J. Crutchley; Tong Ren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3728 - 3729
• a: 20.363 ± 0.002 Å
• b: 19.4145 ± 0.0019 Å
• c: 13.8696 ± 0.0013 Å
• α: 90°
• β: 94.4 ± 0.002°
• γ: 90°
• Cell volume: 5466.9 ± 0.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No