Information card for entry 4519073

Structure parameters

• Formula: C40 H50 F6 Fe N7 O Sb
• Calculated formula: C40 H50 F6 Fe N7 O 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: 10.5327 ± 0.0013 Å
• b: 13.9466 ± 0.0018 Å
• c: 15.712 ± 0.002 Å
• α: 63.727 ± 0.002°
• β: 74.453 ± 0.002°
• γ: 78.923 ± 0.002°
• Cell volume: 1986.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No