Information card for entry 7036286

Structure parameters

• Common name: MQ-Fe(III)PPIX
• Formula: C107.6 H102.8 F12 Fe2 N14.8 O10.2
• Calculated formula: C107.606 H95.889 F12 Fe2 N14.803 O10.197
• Title of publication: Alkoxide coordination of iron(iii) protoporphyrin IX by antimalarial quinoline methanols: a key interaction observed in the solid-state and solution.
• Authors of publication: Gildenhuys, Johandie; Sammy, Chandre J.; Müller, Ronel; Streltsov, Victor A.; le Roex, Tanya; Kuter, David; de Villiers, Katherine A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16767 - 16777
• a: 13.6554 ± 0.0012 Å
• b: 18.5961 ± 0.0016 Å
• c: 20.2697 ± 0.0017 Å
• α: 90.523 ± 0.001°
• β: 108.49 ± 0.001°
• γ: 96.048 ± 0.002°
• Cell volume: 4849.4 ± 0.7 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: 0.0921
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No