Information card for entry 7030523

Structure parameters

• Formula: C36 H46 Cl8 Fe2 N8 O8
• Calculated formula: C36 H46 Cl8 Fe2 N8 O8
• Title of publication: Synthesis, structure, spectra and reactivity of iron(III) complexes of imidazole and pyrazole containing ligands as functional models for catechol dioxygenases
• Authors of publication: Dhanalakshmi, Thirumanasekaran; Suresh, Eringathodi; Palaniandavar, Mallayan
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 8317 - 8328
• a: 10.696 ± 0.005 Å
• b: 10.942 ± 0.005 Å
• c: 12.328 ± 0.006 Å
• α: 89.689 ± 0.008°
• β: 75.395 ± 0.008°
• γ: 60.989 ± 0.008°
• Cell volume: 1209.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1018
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002406
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No