Information card for entry 4340414

Structure parameters

• Formula: C4 H24 K3 O22 P4 Ru2
• Calculated formula: C4 H24 K3 O22 P4 Ru2
• SMILES: [K+].[K+].O1[Ru]234([OH2])OP5(=O)C(C)(O)P(=O)(O[Ru]64(O5)(OP1(=O)C(C)(O)P(=O)(O2)O6)[OH2])O3.O.O.O.[K+].O.O.O
• Title of publication: Syntheses, structures, and magnetic properties of mixed-valent diruthenium(II,III) diphosphonates with discrete and one-dimensional structures.
• Authors of publication: Yi, Xiao-Yi; Liu, Bin; Jiménez-Aparicio, Reyes; Urbanos, Francisco A.; Gao, Song; Xu, Wei; Chen, Jie-Sheng; Song, You; Zheng, Li-Min
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4309 - 4314
• a: 9.4925 ± 0.0016 Å
• b: 14.476 ± 0.003 Å
• c: 9.7163 ± 0.0016 Å
• α: 90°
• β: 113.348 ± 0.003°
• γ: 90°
• Cell volume: 1225.8 ± 0.4 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: 0.1053
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No