Information card for entry 2241615

Structure parameters

• Chemical name: (<i>OC</i>-6-42)-Acetonitrilechloridobis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III)
• Formula: C24 H19 Cl N3 Rh
• Calculated formula: C24 H19 Cl N3 Rh
• SMILES: [Rh]12(Cl)([n]3ccccc3c3ccccc13)([n]1ccccc1c1ccccc21)[N]#CC
• 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: 16.5415 ± 0.0009 Å
• b: 14.66 ± 0.0011 Å
• c: 17.0026 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4123.1 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0258
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes