Information card for entry 7041540

Structure parameters

• Chemical name: [K(H2O)4][Mn(DPAAA)(H2O)]2
• Formula: C16 H18 K0.5 Mn N3 O9
• Calculated formula: C16 H18 K0.5 Mn N3 O9
• Title of publication: Developing the family of picolinate ligands for Mn(2+) complexation.
• Authors of publication: Forgács, Attila; Pujales-Paradela, Rosa; Regueiro-Figueroa, Martín; Valencia, Laura; Esteban-Gómez, David; Botta, Mauro; Platas-Iglesias, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1546 - 1558
• a: 10.4813 ± 0.0011 Å
• b: 16.0788 ± 0.0017 Å
• c: 14.7012 ± 0.0016 Å
• α: 90°
• β: 103.862 ± 0.004°
• γ: 90°
• Cell volume: 2405.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2282
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No