Information card for entry 4332156

Structure parameters

• Formula: C12 H44 N4 O18 P4 Ru2
• Calculated formula: C12 H44 N4 O18 P4 Ru2
• SMILES: C1(C)(O)P2(=O)O[Ru]345OP1(=O)O[Ru]15(O2)OP(=O)(C(C)(O)P(=O)(O1)O4)O3.C([NH3+])CCC[NH3+].O.O.C(CCC[NH3+])[NH3+].O.O
• Title of publication: Template- and pH-Directed Assembly of Diruthenium Diphosphonates with Different Topologies and Oxidation States
• Authors of publication: Liu, Bin; Yin, Ping; Yi,; Gao, Song; Zheng, Li-Min
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4205 - 4213
• a: 5.5596 ± 0.0007 Å
• b: 19.343 ± 0.003 Å
• c: 13.0498 ± 0.0017 Å
• α: 90°
• β: 91.347 ± 0.003°
• γ: 90°
• Cell volume: 1403 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0734
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.748
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No