Information card for entry 1550753

Structure parameters

• Chemical name: Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate
• Formula: C10 H24 Cl3 Co F N5 O
• Calculated formula: C9.999 H23.998 Cl3 Co F N5 O
• SMILES: [Co]12(Cl)([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]c1ccc(F)cc1.[Cl-].[Cl-].O
• Title of publication: Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate
• Authors of publication: SubbiahPandi, A.; AaminaNaaz, Y.; Mahalakshmi, C. Maharaja; Anbalagan, K.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 3
• Pages of publication: x190327
• a: 8.1712 ± 0.0006 Å
• b: 9.5435 ± 0.0008 Å
• c: 11.9771 ± 0.001 Å
• α: 104.231 ± 0.004°
• β: 99.49 ± 0.004°
• γ: 100.705 ± 0.004°
• Cell volume: 867.57 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes