Information card for entry 7129664

Structure parameters

• Formula: C111 H99 Cl21 Fe N4 Na3 O18 S10
• Calculated formula: C111 H99 Cl21 Fe N4 Na3 O18 S10
• Title of publication: A water-soluble iron-porphyrin complex capable of rescuing CO-poisoned red blood cells
• Authors of publication: Droege, Daniel G.; Johnstone, Timothy C.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 14.0352 ± 0.0001 Å
• b: 14.4881 ± 0.0001 Å
• c: 16.9509 ± 0.0001 Å
• α: 72.645 ± 0.001°
• β: 80.271 ± 0.001°
• γ: 86.777 ± 0.001°
• Cell volume: 3242.56 ± 0.04 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No