Information card for entry 7032033

Structure parameters

• Chemical name: bis(m2-Cyano)-diaqua-tricyano-nitrosyl-bis(N,N'-(1,2-benzene)- bis(salicylideneiminato)-N,N',O,O')-tri-iron(ii,iii)) methanole solvate
• Formula: C47 H40 Fe3 N10 O9
• Calculated formula: C47 H40 Fe3 N10 O9
• 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: 10.8773 ± 0.0004 Å
• b: 11.0243 ± 0.0004 Å
• c: 11.6197 ± 0.0004 Å
• α: 99.96 ± 0.003°
• β: 116.96 ± 0.004°
• γ: 105.062 ± 0.003°
• Cell volume: 1128.77 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No