Information card for entry 7032037

Structure parameters

• Chemical name: (aqua-methanole(N,N'-(ethane-1,2-diylbis(nitrilomethylylidene))dinaphthalen-2- olato-N,N')-manganesse(iii) (m-Cyano)-methanole-tricyano-nitrosyl(N,N'-(ethane- 1,2-diylbis(nitrilomethylylidene))dinaphthalen-2-olato-N,N')-iron(ii) methanole solvate monohydrate
• Formula: C62.5 H50 Fe Mn2 N10 O10.5
• Calculated formula: C62.683 H50 Fe Mn2 N10 O10.317
• 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: 10.6373 ± 0.0003 Å
• b: 15.3822 ± 0.0004 Å
• c: 18.2505 ± 0.0005 Å
• α: 78.98 ± 0.002°
• β: 79.305 ± 0.002°
• γ: 73.46 ± 0.002°
• Cell volume: 2782.45 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No