Information card for entry 7028334

Structure parameters

• Formula: C11 H11 Mn N2 Na O8
• Calculated formula: C11 H11 Mn N2 Na 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: 13.1405 ± 0.0017 Å
• b: 9.3253 ± 0.0013 Å
• c: 11.0933 ± 0.0015 Å
• α: 90°
• β: 101.347 ± 0.004°
• γ: 90°
• Cell volume: 1332.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No