Information card for entry 2209409

Structure parameters

• Chemical name: trans-Dichloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III) chloride
• Formula: C10 H24 Cl3 Co N4
• Calculated formula: C10 H24 Cl3 Co N4
• SMILES: C1C[NH]2CCC[NH]3[Co]42([NH]1CCC[NH]4CC3)(Cl)Cl.[Cl-]
• Title of publication: <i>trans</i>-Dichloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III) chloride
• Authors of publication: Radoslava Ivaniková; Svoboda, Ingrid; Fuess, Hartmut; Mašlejová, Anna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1553 - m1554
• a: 10.61 ± 0.001 Å
• b: 10.61 ± 0.001 Å
• c: 13.335 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1501.1 ± 0.2 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes