Information card for entry 2202641

Structure parameters

• Chemical name: [2,6-Bis(3,4-dihydro-2H-pyrrol-5-yl)pyridine-κ^3^N]trichlororhodium(III) monohydrate
• Formula: C13 H17 Cl3 N3 O Rh
• Calculated formula: C13 H17 Cl3 N3 O Rh
• SMILES: C1CCC2c3cccc4C5CCC[N]=5[Rh]([N]1=2)([n]34)(Cl)(Cl)Cl.O
• Title of publication: [2,6-Bis(3,4-dihydro-2<i>H</i>-pyrrol-5-yl)pyridine-κ^3^<i>N</i>]trichlororhodium(III) monohydrate
• Authors of publication: Therrien, Bruno; Süss-Fink, Georg
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m806 - m808
• a: 18.682 ± 0.004 Å
• b: 14.821 ± 0.003 Å
• c: 14.819 ± 0.003 Å
• α: 90°
• β: 126.57 ± 0.03°
• γ: 90°
• Cell volume: 3295.4 ± 1.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes