Information card for entry 2220849

Structure parameters

• Chemical name: Bis(2,2'-bipyridine){ethyl 4'-[<i>N</i>-(4-carbamoylphenyl)carbamoyl]-2,2'-bipyridine-4- carboxylate}ruthenium(II) bis[hexafluoridophosphate(V)]
• Formula: C41 H34 F12 N8 O4 P2 Ru
• Calculated formula: C41 H34 F12 N8 O4 P2 Ru
• SMILES: [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccc(cc1c1[n]3ccc(c1)C(=O)Nc1ccc(cc1)C(=O)N)C(=O)OCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis(2,2'-bipyridine){ethyl 4'-[<i>N</i>-(4-carbamoylphenyl)carbamoyl]-2,2'-bipyridine-4-carboxylate}ruthenium(II) bis[hexafluoridophosphate(V)]
• Authors of publication: Hirahara, Masanari; Masaoka, Shigeyuki; Sakai, Ken
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m228 - m229
• a: 18.4 ± 0.003 Å
• b: 13.187 ± 0.002 Å
• c: 18.863 ± 0.003 Å
• α: 90°
• β: 111.344 ± 0.002°
• γ: 90°
• Cell volume: 4263 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0815
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes