Information card for entry 2211033

Structure parameters

• Chemical name: Bis{2,4-dichloro-6-[2-(isopropylamino)ethyliminomethyl]phenolato}cobalt(III) perchlorate monohydrate
• Formula: C24 H32 Cl5 Co N4 O7
• Calculated formula: C24 H32 Cl5 Co N4 O7
• SMILES: [Co]1234(Oc5c(cc(Cl)cc5Cl)C=[N]1CC[NH]2C(C)C)Oc1c(cc(Cl)cc1Cl)C=[N]3CC[NH]4C(C)C.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Bis{2,4-dichloro-6-[2-(isopropylamino)ethyliminomethyl]phenolato}cobalt(III) perchlorate monohydrate
• Authors of publication: Xiao-Fan Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3065 - m3067
• a: 13.715 ± 0.002 Å
• b: 11.123 ± 0.002 Å
• c: 20.99 ± 0.003 Å
• α: 90°
• β: 108.034 ± 0.002°
• γ: 90°
• Cell volume: 3044.8 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0975
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No