Information card for entry 4106801

Structure parameters

• Formula: C151 H150 Co2 N16 O23 P2 Ru4
• Calculated formula: C151 H150 Co2 N16 O23 P2 Ru4
• SMILES: [Ru]1234([Ru](N(c5[n]1cccc5)c1cc(OC)cc(OC)c1)(N(c1[n]2cccc1)c1cc(OC)cc(OC)c1)(N(c1[n]3cccc1)c1cc(OC)cc(OC)c1)N(c1[n]4cccc1)c1cc(OC)cc(OC)c1)C#C[C]12[Co]34([Co]1([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([C]=24C#C[Ru]1234[Ru](N(c5[n]1cccc5)c1cc(OC)cc(OC)c1)(N(c1[n]2cccc1)c1cc(OC)cc(OC)c1)(N(c1[n]3cccc1)c1cc(OC)cc(OC)c1)N(c1[n]4cccc1)c1cc(OC)cc(OC)c1)(C#[O])C#[O])(C#[O])C#[O].O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Modulation of Electronic Couplings within Ru2-Polyyne Frameworks
• Authors of publication: Bin Xi; Isiah P.-C. Liu; Guo-Lin Xu; Mohommad M. R. Choudhuri; Maria C. DeRosa; Robert J. Crutchley; Tong Ren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15094 - 15104
• a: 18.7179 ± 0.0008 Å
• b: 22.1686 ± 0.0014 Å
• c: 22.2364 ± 0.0014 Å
• α: 114.086 ± 0.003°
• β: 98.165 ± 0.002°
• γ: 101.781 ± 0.002°
• Cell volume: 7979.7 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.093
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No