Information card for entry 2021171

Structure parameters

• Chemical name: Chlorido(η^6^-cymene)(dimethyl 2,2'-bypyridine-4,5-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)hexafluoridophosphate
• Formula: C24 H26 Cl F6 N2 O4 P Ru
• Calculated formula: C24 H26 Cl F6 N2 O4 P Ru
• Title of publication: Concomitant polymorphism in an organometallic ruthenium(II) complex with an <i>N</i>,<i>N</i>'-donor ligand
• Authors of publication: Traven, Katja; Turel, Iztok; Koziskova, Julia; Bučinský, Lukáč; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 683 - 689
• a: 11.4706 ± 0.0003 Å
• b: 16.97 ± 0.0004 Å
• c: 13.9242 ± 0.0004 Å
• α: 90°
• β: 99.55 ± 0.002°
• γ: 90°
• Cell volume: 2672.87 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.0273
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes