Information card for entry 7020241

Structure parameters

• Formula: C38 H46 Cl Mn N4 O10
• Calculated formula: C38 H46 Cl Mn N4 O10
• SMILES: CC[OH][Mn]12([n]3c(c4c(cccc4)O1)cc(c1ccccc1)[nH]3)([OH]CC)[n]1c(c3c(cccc3)O2)cc(c2ccccc2)[nH]1.C(C)O.[O-]Cl(=O)(=O)=O.C(C)O
• 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: 19.861 Å
• b: 11.252 ± 0.002 Å
• c: 18.074 ± 0.003 Å
• α: 90°
• β: 102.35 ± 0.03°
• γ: 90°
• Cell volume: 3945.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No