Information card for entry 2241617

Structure parameters

• Chemical name: (<i>OC</i>-6-42)-Ethanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III)
• Formula: C31 H33 N4 O4 Rh
• Calculated formula: C31 H33 N4 O4 Rh
• SMILES: [Rh]12([OH]CC)(N3C(=O)NC(=O)C(C)=C3)([n]3ccccc3c3ccccc13)[n]1ccccc1c1ccccc21.OCC
• Title of publication: Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand
• Authors of publication: Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 543 - 547
• a: 11.1082 ± 0.0005 Å
• b: 15.5556 ± 0.0006 Å
• c: 32.6747 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5646 ± 0.4 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes