Information card for entry 2312116

Structure parameters

• Chemical name: <i>mer</i>-Tris[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)pyrimidine-κ^2^<i>N</i>^1^]ruthenium(II) bis(hexafluoridophosphate) trihydrate
• Formula: C21 H18 F12 N12 O3 P2 Ru
• Calculated formula: C21 H18 F12 N12 O3 P2 Ru
• Title of publication: Crystal structure, electrochemical and spectroscopic investigation of <i>mer</i>-tris-[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>³)pyrimidine-κ<i>N</i>¹]ruthenium(II) bis-(hexa-fluorido-phosphate) trihydrate.
• Authors of publication: Bibi, Naheed; Guerra, Renan Barrach; Huamaní, Luis Enrique Santa Cruz; Formiga, André Luiz Barboza
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 7
• Pages of publication: 874 - 877
• a: 13.0162 ± 0.0005 Å
• b: 13.6078 ± 0.0005 Å
• c: 18.3382 ± 0.0007 Å
• α: 90°
• β: 99.937 ± 0.002°
• γ: 90°
• Cell volume: 3199.4 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.01 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: 0.0866
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes