Information card for entry 4347659

Structure parameters

• Formula: C98 H108 F24 N12 P4 Ru2 S4
• Calculated formula: C98 H108 F24 N12 P4 Ru2 S4
• SMILES: c1ccc2c3c(c4ccc[n]5c4c2[n]1[Ru]125([n]4ccc(cc4c4cc(cc[n]14)C(C)(C)C)C(C)(C)C)[n]1ccc(cc1c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)SC(=C1Sc2c4ccc[n]5c4c4c(c2S1)ccc[n]4[Ru]125([n]4ccc(cc4c4cc(cc[n]14)C(C)(C)C)C(C)(C)C)[n]1ccc(cc1c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)S3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Dinuclear Ruthenium Complex Based on a π-Extended Bridging Ligand with Redox-Active Tetrathiafulvalene and 1,10-Phenanthroline Units.
• Authors of publication: Chen, Bin; Lv, Zhong-Peng; Hua, Carol; Leong, Chanel F.; Tuna, Floriana; D'Alessandro, Deanna M; Collison, David; Zuo, Jing-Lin
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4606 - 4615
• a: 44.902 ± 0.009 Å
• b: 40.884 ± 0.008 Å
• c: 38.996 ± 0.008 Å
• α: 90°
• β: 95.497 ± 0.003°
• γ: 90°
• Cell volume: 71259 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No