Information card for entry 4313664

Structure parameters

• Common name: aquatris{diazamethylazoniaphosphaadamantane} -diiodoruthenium(II)triiodide dihydrate
• Chemical name: (OC-6-13)-aqua{tris(3,5-diaza-1-methyl-1-azonia-7 -phosphatricyclo[3.3.1.1^3,7]decane}diiodoruthenium(II) -triiodide-water (1/2)
• Formula: C21 H51 I5 N9 O3 P3 Ru
• Calculated formula: C21 H47 I5 N9 O3 P3 Ru
• SMILES: [Ru](I)(I)([OH2])([P]12C[N+]3(C)CN(C1)CN(C2)C3)([P]12C[N+]3(C)CN(C1)CN(C2)C3)[P]12C[N+]3(C)CN(C1)CN(C2)C3.[I-].[I-].[I-].O.O
• Title of publication: New Rhodium(III) and Ruthenium(II) Water-Soluble Complexes with 3,5-Diaza-1-methyl-1-azonia-7-phosphatricyclo[3.3.1.13,7]decane
• Authors of publication: Piotr Smoleński; Florian P. Pruchnik; Zbigniew Ciunik; Tadeusz Lis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3318 - 3322
• a: 13.6234 ± 0.0011 Å
• b: 15.3353 ± 0.0009 Å
• c: 18.1723 ± 0.0012 Å
• α: 90°
• β: 92.824 ± 0.006°
• γ: 90°
• Cell volume: 3791.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0456
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No