Information card for entry 4116924

Structure parameters

• Common name: Fe^II^(OEB-OCH~3~)-meso-d~3~
• Formula: C36 H46 Fe N4 O2
• Calculated formula: C36 H46 Fe N4 O2
• Title of publication: Models for Verdoheme Hydrolysis. Paramagnetic Products from the Ring Opening of Verdohemes, 5-Oxaporphyrin Complexes of Iron(II), with Methoxide Ion
• Authors of publication: Richard Koerner; Lechosoław Latos-Grażyński; Alan L. Balch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 9246 - 9255
• a: 13.477 ± 0.006 Å
• b: 13.836 ± 0.006 Å
• c: 17.128 ± 0.005 Å
• α: 90°
• β: 92.47 ± 0.03°
• γ: 90°
• Cell volume: 3191 ± 2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections: 0.1581
• Weighted residual factors for significantly intense reflections: 0.119
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No