Information card for entry 4069063

Structure parameters

• Formula: C74 H74 Fe2 N8 O1.5 Ru2
• Calculated formula: C74 H74 Fe2 N8 O1.5 Ru2
• SMILES: [Ru]1234([Ru]([N](C)=C(N1C)c1ccccc1)([N](C)=C(N2C)c1ccccc1)(N(C)C(=[N]3C)c1ccccc1)(N(C)C(=[N]4C)c1ccccc1)C#CC#CC#C[c]12[cH]3[Fe]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[cH]3[cH]8[cH]29)C#CC#CC#C[c]12[Fe]3456789([cH]%10[cH]6[cH]5[cH]4[cH]3%10)[cH]1[cH]7[cH]8[cH]29.O1CCCC1.O1CCCC1
• Title of publication: Diruthenium Complexes of Axial Ferrocenyl−Polyynyl Ligands: The Cases of C6Fc and C8Fc
• Authors of publication: Xi, Bin; Xu, Guo-Lin; Fanwick, Phillip E.; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2338
• a: 17.2957 ± 0.0013 Å
• b: 19.5103 ± 0.0014 Å
• c: 21.763 ± 0.003 Å
• α: 88.027 ± 0.007°
• β: 84.001 ± 0.004°
• γ: 85.14 ± 0.004°
• Cell volume: 7274.9 ± 1.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No