Information card for entry 4124635

Structure parameters

• Formula: C29 H29.56 Cl3 Fe N5 O2.28
• Calculated formula: C29 H26.75 Cl3 Fe N5 O2.283
• Title of publication: Iron Complexes of Square Planar Tetradentate Polypyridyl-Type Ligands as Catalysts for Water Oxidation.
• Authors of publication: Wickramasinghe, Lanka D.; Zhou, Rongwei; Zong, Ruifa; Vo, Pascal; Gagnon, Kevin J.; Thummel, Randolph P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 41
• Pages of publication: 13260 - 13263
• a: 13.556 ± 0.0006 Å
• b: 14.0832 ± 0.0005 Å
• c: 17.1999 ± 0.0007 Å
• α: 85.457 ± 0.003°
• β: 86.877 ± 0.002°
• γ: 64.143 ± 0.002°
• Cell volume: 2944.9 ± 0.2 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: 0.1111
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No