Information card for entry 1570992

Structure parameters

• Formula: C3.33 H3.89 Cl0.22 Fe0.11 N O1.11
• Calculated formula: C3.33333 H3.88889 Cl0.222222 Fe0.111111 N O1.11111
• Title of publication: Catalytic reduction of oxygen to water by non-heme iron complexes: exploring the effect of the secondary coordination sphere proton exchanging site.
• Authors of publication: Santra, Aakash; Das, Avijit; Kaur, Simarjeet; Jain, Priya; Ingole, Pravin P.; Paria, Sayantan
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 4095 - 4105
• a: 8.1243 ± 0.0003 Å
• b: 13.335 ± 0.0004 Å
• c: 17.7851 ± 0.0005 Å
• α: 102.08 ± 0.001°
• β: 90.3 ± 0.001°
• γ: 96.561 ± 0.001°
• Cell volume: 1870.95 ± 0.1 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: 0.0604
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No