Information card for entry 7020242

Structure parameters

• Formula: C30 H22 Mn N7 O2
• Calculated formula: C30 H22 Mn N7 O2
• SMILES: [Mn]12(N=N#N)([n]3[nH]c(c4ccccc4)cc3c3ccccc3O1)[n]1[nH]c(c3ccccc3)cc1c1ccccc1O2
• 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: 8.692 ± 0.001 Å
• b: 12.865 ± 0.001 Å
• c: 22.539 ± 0.002 Å
• α: 90°
• β: 98.32 ± 0.01°
• γ: 90°
• Cell volume: 2493.8 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No