Information card for entry 7032036

Structure parameters

• Chemical name: bis(m2-Cyano)-diaqua-tricyano-nitrosyl-bis(N,N'-(1,2-propylene-bis(3- ethoxysalicylideneiminato)-N,N',O,O')-tri-iron(ii,iii))
• Formula: C47 H52 Fe3 N10 O11
• Calculated formula: C47 H52 Fe3 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: 13.651 ± 0.005 Å
• b: 13.387 ± 0.005 Å
• c: 15.434 ± 0.004 Å
• α: 90°
• β: 120.29 ± 0.02°
• γ: 90°
• Cell volume: 2435.5 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No