Information card for entry 2209973

Structure parameters

• Chemical name: (2,3,12,13-Tetrabromo-5,10,15,20-tetraphenylporphyrin)dipyridineiron(II) pyridine solvate
• Formula: C59 H39 Br4 Fe N7
• Calculated formula: C60 H38.98 Br4 Fe N6
• Title of publication: Dipyridine(2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin)iron(II) pyridine solvate
• Authors of publication: Scheidt, W. Robert; Noll, Bruce C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1892 - m1894
• a: 18.4633 ± 0.0005 Å
• b: 19.9786 ± 0.0006 Å
• c: 14.4636 ± 0.0004 Å
• α: 90°
• β: 114.688 ± 0.001°
• γ: 90°
• Cell volume: 4847.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes