Information card for entry 2226880

Structure parameters

• Chemical name: 1,4,8,11-Tetraazoniacyclotetradecane tetrachloridocobaltate(II) dichloride
• Formula: C10 H28 Cl6 Co N4
• Calculated formula: C10 H28 Cl6 Co N4
• SMILES: C1[NH2+]CCC[NH2+]CC[NH2+]CCC[NH2+]C1.[Co](Cl)(Cl)([Cl-])[Cl-].[Cl-].[Cl-]
• Title of publication: 1,4,8,11-Tetraazoniacyclotetradecane tetrachloridocobaltate(II) dichloride
• Authors of publication: Ferchichi, Tarek; Trojett, Besma; Dhaouadi, Hassouna; Marouani, Houda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m869 - m870
• a: 7.4058 ± 0.001 Å
• b: 8.1244 ± 0.001 Å
• c: 17.147 ± 0.001 Å
• α: 84.36 ± 0.02°
• β: 85.56 ± 0.02°
• γ: 77.84 ± 0.02°
• Cell volume: 1002 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes