Information card for entry 2019847

Structure parameters

• Chemical name: Chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κ<i>N</i>]ethyl}pyridine-κ<i>N</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride
• Formula: C23 H27 Cl3 N3 Rh
• Calculated formula: C23 H27 Cl3 N3 Rh
• SMILES: c1cccc2C(=[N](Nc3ccc(cc3)Cl)[Rh]3456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)(Cl)[n]12)C.[Cl-]
• Title of publication: Crystal structure of chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κN]ethyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)rhodium(III) chloride
• Authors of publication: Devika, Neelakandan; Raja, Nandhagopal; Ananthalakshmi, Subbiah; Therrien, Bruno
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: 248
• a: 13.0774 ± 0.0005 Å
• b: 13.4537 ± 0.0005 Å
• c: 26.5153 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4665.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes