Information card for entry 2021170

Structure parameters

• Chemical name: Chlorido(η^6^-<i>p</i>-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
• SMILES: [Ru]123456(Cl)([n]7c(c8[n]1cc(C(=O)OC)c(c8)C(=O)OC)cccc7)[cH]1[c]5([cH]2[cH]3[c]6([cH]41)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 7.5508 ± 0.0001 Å
• b: 23.0248 ± 0.0002 Å
• c: 15.8985 ± 0.0001 Å
• α: 90°
• β: 102.081 ± 0.001°
• γ: 90°
• Cell volume: 2702.83 ± 0.05 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes