Information card for entry 7702496

Structure parameters

• Chemical name: (Tetrachlorocatecholato-O,O')-(bis((2-pyridyl)methyl) ((1-methylimidazol-2-yl)methyl)amine)-iron(III) perchlorate
• Formula: C23 H19 Cl5 Fe N5 O6
• Calculated formula: C23 H19 Cl5 Fe N5 O6
• Title of publication: The systematic influence of tripodal ligands on the catechol cleaving activity of iron(III) containing model compounds for catechol 1,2-dioxygenases †
• Authors of publication: Pascaly, Matthias; Duda, Mark; Schweppe, Florian; Zurlinden, Kristin; Müller, Felizitas K.; Krebs, Bernt
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 828
• a: 9.12 ± 0.002 Å
• b: 35.402 ± 0.007 Å
• c: 8.666 ± 0.002 Å
• α: 90°
• β: 92.93 ± 0.03°
• γ: 90°
• Cell volume: 2794.3 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0868
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No