Information card for entry 2215395

Structure parameters

• Chemical name: <i>fac</i>-Trichloridotrispyrazolerhodium(III)
• Formula: C9 H12 Cl3 N6 Rh
• Calculated formula: C9 H12 Cl3 N6 Rh
• SMILES: [Rh](Cl)(Cl)(Cl)([n]1[nH]ccc1)([n]1[nH]ccc1)[n]1[nH]ccc1
• Title of publication: <i>fac</i>-Trichloridotrispyrazolerhodium(III)
• Authors of publication: Ruth Bieda; Manuela C. Winter; William S. Sheldrick
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2473 - m2473
• a: 8.2041 ± 0.0003 Å
• b: 11.9243 ± 0.0004 Å
• c: 14.5839 ± 0.0005 Å
• α: 90°
• β: 100.624 ± 0.003°
• γ: 90°
• Cell volume: 1402.26 ± 0.09 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes