Information card for entry 4310449

Structure parameters

• Common name: [FeOETPP(4-CNPy)2]Cl
• Chemical name: bis{4-cyanopyridine}octaethyltetraphenylporphinato Iron(III) perchlorate
• Formula: C74 H70 Cl7 Fe N8 O4
• Calculated formula: C74 H70 Cl7 Fe N8 O4
• Title of publication: Structural, NMR, and EPR Studies of S=1/2 and S=3/2 Fe(III) Bis(4-Cyanopyridine) Complexes of Dodecasubstituted Porphyrins
• Authors of publication: Liliya A. Yatsunyk; F. Ann Walker
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 757 - 777
• a: 14.3386 ± 0.0004 Å
• b: 21.7212 ± 0.0005 Å
• c: 24.1113 ± 0.0006 Å
• α: 101.25 ± 0.001°
• β: 99.05 ± 0.001°
• γ: 97.391 ± 0.001°
• Cell volume: 7174.4 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.248
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.65
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No