Information card for entry 4310835

Structure parameters

• Formula: C19 H23 Mn N2 O5
• Calculated formula: C19 H23 Mn N2 O5
• SMILES: [Mn]123([N](=Cc4c(O1)cccc4)C(CN3C(=O)c1c(O2)cccc1)C)([OH]C)[OH]C
• Title of publication: Synthesis, Structures, and Magnetic Properties of Novel Mononuclear, Tetranuclear, and 1D Chain MnIII Complexes Involving Three Related Asymmetrical Trianionic Ligands
• Authors of publication: Jean-Pierre Costes; Françoise Dahan; Bruno Donnadieu; Maria-Jesus Rodriguez Douton; Maria-Isabel Fernandez Garcia; Azzedine Bousseksou; Jean-Pierre Tuchagues
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2736 - 2744
• a: 7.8582 ± 0.0014 Å
• b: 10.9225 ± 0.0016 Å
• c: 12.4882 ± 0.0018 Å
• α: 67.231 ± 0.014°
• β: 72.134 ± 0.014°
• γ: 82.589 ± 0.013°
• Cell volume: 940.6 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No