Information card for entry 7002163

Structure parameters

• Formula: C75 H75 Mn3 N7 O8
• Calculated formula: C75 H75 Mn3 N7 O8
• Title of publication: Manganese(iii) compounds with phenol‒pyrazole based-ligands: impact of the co-ligand and the carboxylate ligand on the trinuclear core [Mn3(μ3-O)(phpzR)3(O2CR′)n]1−n
• Authors of publication: Viciano-Chumillas, Marta; Tanase, Stefania; Mutikainen, Ilpo; Turpeinen, Urho; Jos de Jongh, L.; Reedijk, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 36
• Pages of publication: 7445 - 7453
• a: 13.805 ± 0.002 Å
• b: 16.257 ± 0.002 Å
• c: 16.495 ± 0.002 Å
• α: 101.53 ± 0.02°
• β: 100.39 ± 0.02°
• γ: 109.06 ± 0.02°
• Cell volume: 3305.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No