Information card for entry 2311107

Structure parameters

• Chemical name: Aquachloridobis(2-{[3-(morpholin-4- yl)propyl]iminomethyl}phenolato)manganese(III) monohydrate
• Formula: C28 H42 Cl Mn N4 O6
• Calculated formula: C28 H42 Cl Mn N4 O6
• SMILES: [Mn]12(Cl)(Oc3ccccc3C=[N]1CCCN1CCOCC1)(Oc1ccccc1C=[N]2CCCN1CCOCC1)[OH2].O
• Title of publication: Aqua-chloridobis(2-{[3-(morpholin-4-yl)prop-yl]imino-meth-yl}phenolato)manganese(III) monohydrate.
• Authors of publication: Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2011
• Journal volume: 67
• Journal issue: Pt 8
• Pages of publication: m1044 - 5
• a: 9.4831 ± 0.0002 Å
• b: 12.4169 ± 0.0003 Å
• c: 12.9518 ± 0.0003 Å
• α: 95.54 ± 0.001°
• β: 90.306 ± 0.002°
• γ: 104.229 ± 0.001°
• Cell volume: 1470.72 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No