Information card for entry 4519075

Structure parameters

• Formula: C40 H50 F6 Fe N6 Sb
• Calculated formula: C40 H50 F6 Fe N6 Sb
• Title of publication: Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands
• Authors of publication: Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong
• Journal of publication: ACS Omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 38
• Pages of publication: 24777 - 24787
• a: 11.502 ± 0.004 Å
• b: 13.713 ± 0.004 Å
• c: 13.952 ± 0.004 Å
• α: 66.47 ± 0.007°
• β: 82.509 ± 0.008°
• γ: 78.86 ± 0.007°
• Cell volume: 1976.1 ± 1.1 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: 0.1506
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No