Information card for entry 7020882

Structure parameters

• Formula: C12 H44 Cl2 N4 O20 P4 Ru2
• Calculated formula: C12 H44 Cl2 N4 O20 P4 Ru2
• SMILES: C1C[NH2+]CC[NH2+]1.O.O.Cl[Ru]1234OP5(=O)C(C)(O)P(=O)(O2)O[Ru]24(OP(=O)(C(C)(O)P(=O)(O2)O3)O1)(O5)Cl.O.C1C[NH2+]CC[NH2+]1.O.O.O
• Title of publication: Diruthenium(iii,iii) diphosphonate with a spin ground state S = 2
• Authors of publication: Liu, Bin; Ding, Tuo; Hua, Wei-Jie; Liu, Xue-Mei; Hu, Huai-Ming; Li, Shu-Hua; Zheng, Li-Min
• Journal of publication: Dalton Transactions
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 3429
• a: 8.902 ± 0.003 Å
• b: 9.285 ± 0.003 Å
• c: 10.041 ± 0.003 Å
• α: 92.616 ± 0.005°
• β: 93.46 ± 0.005°
• γ: 105.802 ± 0.004°
• Cell volume: 795.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.056
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No