Information card for entry 7045066

Structure parameters

• Formula: C40 H32 Cl N12 Ru2
• Calculated formula: C40 H32 Cl N12 Ru2
• SMILES: [Ru]1234([Ru]5(N(c6[n]1cccc6)c1[n]5cccc1)(N(c1[n]2cccc1)c1ncccc1)(N(c1[n]3cccc1)c1ncccc1)N(c1[n]4cccc1)c1ncccc1)Cl
• Title of publication: Stepwise synthesis of the heterotrimetallic chains [MRu₂(dpa)₄X₂]^0/1+ using group 7 to group 12 transition metal ions and [Ru₂(dpa)₄Cl].
• Authors of publication: Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1422 - 1434
• a: 9.7288 ± 0.0004 Å
• b: 18.8437 ± 0.0007 Å
• c: 20.4662 ± 0.0008 Å
• α: 90°
• β: 99.8469 ± 0.0012°
• γ: 90°
• Cell volume: 3696.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No