Information card for entry 1557198

Structure parameters

• Common name: Mn(cth)Cu(oxpn)(CF3SO3)2
• Formula: C26 H52 Cu F6 Mn N8 O8 S2
• Calculated formula: C26 Cu F6 Mn N8 O8 S2
• Title of publication: Low-Temperature Neutron and X-Ray Diffraction Studies on Mn(cth)Cu(oxpn)(CF3SO3)2: (cth) = (±)-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane; (oxpn) = N,N'-Bis(3-aminopropyl)oxamide
• Authors of publication: Baron, V.; Gillon, B.; Kahn, O.; Rundlof, H.; Tellgren, R.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 683 - 688
• a: 17.525 ± 0.003 Å
• b: 17.955 ± 0.004 Å
• c: 12.804 ± 0.002 Å
• α: 90°
• β: 104.97 ± 0.02°
• γ: 90°
• Cell volume: 3892.2 ± 1.3 ų
• Ambient diffraction temperature: 25 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 3.6
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No