Information card for entry 7110473

Structure parameters

• Formula: C60 H68 Fe2 N4 Ni O0.25
• Calculated formula: C59.996 H68 Fe2 N3.996 Ni O0.25
• Title of publication: Bis(ferrocenyl)porphyrins. Compounds with strong long-range metal‒metal coupling†
• Authors of publication: Burrell, Anthony K.; Campbell, Wayne M.; Jameson, Geoffrey B.; Officer, David L.; Boyd, Peter D. W.; Zhao, Zhongde; Cocks, Paul A.; Gordon, Keith C.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 637
• a: 28.5339 ± 0.0002 Å
• b: 28.5339 ± 0.0002 Å
• c: 24.6067 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20034.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No