Information card for entry 7032035

Structure parameters

• Chemical name: bis(m-Cyano)-diaqua-tricyano-nitrosyl-bis(N,N'-ethylene-bis(3- ethoxysalicylideneiminato)-N,N',O,O')-iron(ii)-di-manganese(iii))
• Formula: C45 H48 Fe Mn2 N10 O11
• Calculated formula: C45 H48 Fe Mn2 N10 O11
• Title of publication: Towards a better understanding of magnetic exchange mediated by hydrogen bonds in Mn(iii)/Fe(iii) salen-type supramolecular dimers.
• Authors of publication: Nemec, Ivan; Herchel, Radovan; Silha, Tomáš; Trávníček, Zdeněk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15602 - 15616
• a: 13.2 ± 0.0011 Å
• b: 13.1797 ± 0.0008 Å
• c: 14.86 ± 0.002 Å
• α: 90°
• β: 116.958 ± 0.008°
• γ: 90°
• Cell volume: 2304.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0972
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No