Information card for entry 7063414

Structure parameters

• Common name: [Mn(O-Vanen)(H2O)NNN]2.2CH3OH
• Formula: C23 H30 Mn N5 O6
• Calculated formula: C23 H30 Mn N5 O6
• Title of publication: Exploring supramolecular architectures in Mn(iii) two-compartment o-vanhd Schiff base complexes: insights from apical aqua ligands and bond valence sum analysis
• Authors of publication: Narayanaswamy, Srinivasan; Bhargavi, G.; Rajasekharan, M. V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 34
• Pages of publication: 15215 - 15226
• a: 8.2741 ± 0.0007 Å
• b: 24.624 ± 0.002 Å
• c: 11.7985 ± 0.001 Å
• α: 90°
• β: 96.269 ± 0.002°
• γ: 90°
• Cell volume: 2389.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No