Information card for entry 2214980

Structure parameters

• Chemical name: Diacetato(1,4,8,11-tetraazacyclotetradecane)manganese(III) perchlorate monohydrate
• Formula: C14 H32 Cl Mn N4 O9
• Calculated formula: C14 H32 Cl Mn N4 O9
• SMILES: C1CC[NH]2[Mn]34([NH]1CC[NH]4CCC[NH]3CC2)(OC(=O)C)OC(=O)C.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Diacetato(1,4,8,11-tetraazacyclotetradecane)manganese(III) perchlorate monohydrate
• Authors of publication: Hwang, In-Chul; Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2299 - m2299
• a: 16.0734 ± 0.0017 Å
• b: 8.5147 ± 0.0009 Å
• c: 17.3393 ± 0.0018 Å
• α: 90°
• β: 113.446 ± 0.002°
• γ: 90°
• Cell volume: 2177.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes