Information card for entry 7020239

Structure parameters

• Formula: C43 H45 Mn2 N8 O7
• Calculated formula: C43 H45 Mn2 N8 O7
• SMILES: [Mn]1234(Oc5c(cccc5)c5n1[n]([Mn]16(Oc7c(cccc7)c7n1[n]2c(c7)C)(Oc1c(cccc1)c1[n]6[nH]c(c1)C)[O]4C)c(c5)C)Oc1c(cccc1)c1[n]3[nH]c(c1)C.OC.OC
• Title of publication: Mononuclear and dinuclear manganese compounds stabilized by supramolecular interactions.
• Authors of publication: Viciano-Chumillas, Marta; Giménez-Marqués, Mónica; Tanase, Stefania; Mutikainen, Ilpo; Turpeinen, Urho; Smits, Jan M. M.; de Gelder, René; Jos de Jongh, L.; Reedijk, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 34
• Pages of publication: 10249 - 10257
• a: 10.647 ± 0.001 Å
• b: 21.768 ± 0.004 Å
• c: 18.897 ± 0.004 Å
• α: 90°
• β: 92.19 ± 0.03°
• γ: 90°
• Cell volume: 4376.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No