Information card for entry 7026469

Structure parameters

• Formula: C23 H29.5 Cl2 Fe N5.5 O10
• Calculated formula: C23 H29.5 Cl2 Fe N5.5 O10
• Title of publication: The unexpected role of pyridine-2-carboxylic acid in manganese based oxidation catalysis with pyridin-2-yl based ligands.
• Authors of publication: Pijper, Dirk; Saisaha, Pattama; de Boer, Johannes W.; Hoen, Rob; Smit, Christian; Meetsma, Auke; Hage, Ronald; van Summeren, Ruben P.; Alsters, Paul L.; Feringa, Ben L.; Browne, Wesley R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 43
• Pages of publication: 10375 - 10381
• a: 37.597 ± 0.004 Å
• b: 9.1237 ± 0.001 Å
• c: 16.3513 ± 0.0018 Å
• α: 90°
• β: 102.216 ± 0.001°
• γ: 90°
• Cell volume: 5481.9 ± 1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0527
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No