Information card for entry 7020883

Structure parameters

• Formula: C12 H44 Cl N4 O20 P4 Ru2
• Calculated formula: C12 H44 Cl N4 O20 P4 Ru2
• SMILES: [Ru]1234([Ru]56(Cl)(OP(=O)(O1)C(P(=O)(O2)O5)(O)C)OP(=O)(O3)C(P(=O)(O4)O6)(O)C)[OH2].O.O.O.O.O.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1
• 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: 12.132 ± 0.002 Å
• b: 16.893 ± 0.003 Å
• c: 16.69 ± 0.003 Å
• α: 90°
• β: 108.229 ± 0.002°
• γ: 90°
• Cell volume: 3248.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.055
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No