Information card for entry 7028336

Structure parameters

• Formula: C6 H8 Mn O8
• Calculated formula: C6 H8 Mn O8
• Title of publication: Carboxylate-rich hybrid ligands in Mn(II) complexes as precursors for water oxidation reactions.
• Authors of publication: Gan, C. R. Raymond; Liu, Zhaolin; Bai, Shi-Qiang; Ong, Kian Soo; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1821 - 1828
• a: 6.0017 ± 0.0007 Å
• b: 10.443 ± 0.0012 Å
• c: 13.5101 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 846.76 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No