Information card for entry 4309810

Structure parameters

• Formula: C70 H86 F12 Fe2 N8 O3 P2
• Calculated formula: C70 H85.574 F12 Fe2 N8 O3 P2
• Title of publication: New Class of Verdoheme Analogues with Weakly Coordinating Anions: The Structure of (μ-Oxo)bis[(octaethyloxoporphinato)iron(III)] Hexafluorophosphate
• Authors of publication: Mozhgan Khorasani-Motlagh; Nasser Safari; Meissam Noroozifar; Jilla Saffari; Mahtab Biabani; Júlio S. Rebouças; Brian O. Patrick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7762 - 7769
• a: 8.7114 ± 0.001 Å
• b: 26.102 ± 0.004 Å
• c: 15.8323 ± 0.0014 Å
• α: 90°
• β: 104.134 ± 0.006°
• γ: 90°
• Cell volume: 3491 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No