Information card for entry 7005927

Structure parameters

• Formula: C79 H60 Fe2 N8
• Calculated formula: C79 H60 Fe2 N8
• Title of publication: Remarkable isolation, structural characterisation and electrochemistry of unexpected scrambling analogues of 5-ferrocenyl-10,20-diphenylporphyrin.
• Authors of publication: Auger, Aurélien; Muller, Alfred J.; Swarts, Jannie C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3623 - 3633
• a: 17.4122 ± 0.0004 Å
• b: 12.0231 ± 0.0003 Å
• c: 13.4818 ± 0.0003 Å
• α: 90°
• β: 94.558 ± 0.001°
• γ: 90°
• Cell volume: 2813.47 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No