Information card for entry 1559455

Structure parameters

• Common name: [Mn(cyclam)(NCS)2]NCS
• Formula: C13 H24 Mn N7 S3
• Calculated formula: C13 Mn N7 S3
• Title of publication: Structural and Magnetic Characterization of Manganese(III) Complexes of 1,4,8,11-Tetraazacyclotetradecane (Cyclam)
• Authors of publication: Daugherty, Patricia A.; Glerup, Jorgen; Goodson, Patricia A.; Hodgson, Derek J.; Michelsen, Kirsten
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1991
• Journal volume: 45
• Pages of publication: 244 - 253
• a: 10.767 ± 0.002 Å
• b: 12.94 ± 0.004 Å
• c: 14.441 ± 0.003 Å
• α: 90°
• β: 99.004 ± 0.016°
• γ: 90°
• Cell volume: 1987.2 ± 0.8 ų
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No