Information card for entry 7028335

Structure parameters

• Formula: C18 H26 Mn2 N3 Na3 O20
• Calculated formula: C18 H26 Mn2 N3 Na3 O20
• 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: 30.224 ± 0.003 Å
• b: 9.6362 ± 0.0009 Å
• c: 19.8867 ± 0.0018 Å
• α: 90°
• β: 99.506 ± 0.002°
• γ: 90°
• Cell volume: 5712.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No