Information card for entry 2225166

Structure parameters

• Chemical name: <i>trans</i>-Dichlorido(1,4,8,11-tetraazacyclotetradecane)manganese(III) tetrafluoridoborate
• Formula: C10 H24 B Cl2 F4 Mn N4
• Calculated formula: C10 H24 B Cl2 F4 Mn N4
• SMILES: [Mn]123(Cl)(Cl)[NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4.[B](F)(F)(F)[F-]
• Title of publication: <i>trans</i>-Dichlorido(1,4,8,11-tetraazacyclotetradecane)manganese(III) tetrafluoridoborate
• Authors of publication: Zaouali Zgolli, Donia; Boughzala, Habib; Driss, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m265 - m266
• a: 6.566 ± 0.0003 Å
• b: 13.376 ± 0.0002 Å
• c: 19.5846 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1720.05 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes