Information card for entry 4334380

Structure parameters

• Formula: C132 H104 B2 N12 Ru2
• Calculated formula: C132 H104 B2 N12 Ru2
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccc(cc1)C)N(c1ccc(cc1)C)c1cc2c3[n](cccc3)[Ru]345([n]6ccccc6c6[n]3c(c3[n]4cccc3)c3[n]4c6c6[n](cccc6)[Ru]674([n]4ccccc4c4cc(N(c8ccc(cc8)C)c8ccc(cc8)C)cc(c74)c4[n]6cccc4)[n]4ccccc34)c2c(c1)c1[n]5cccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Multi-Center Redox-Active System: Amine-Amine Electronic Coupling through a Cyclometalated Bisruthenium Segment
• Authors of publication: Chang-Jiang Yao; Yu-Wu Zhong; Jiannian Yao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4040 - 4045
• a: 38.07 ± 0.008 Å
• b: 11.795 ± 0.002 Å
• c: 26.95 ± 0.005 Å
• α: 90°
• β: 105.76 ± 0.03°
• γ: 90°
• Cell volume: 11647 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1878
• Residual factor for significantly intense reflections: 0.1364
• Weighted residual factors for significantly intense reflections: 0.2892
• Weighted residual factors for all reflections included in the refinement: 0.3204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No