Information card for entry 4505842

Structure parameters

• Formula: C56 H58 Fe1.5 N3 O10
• Calculated formula: C56 H57 Fe1.5 N3 O10
• Title of publication: Self-Assembly of Discrete Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Terephthalic and Trimesic Acids
• Authors of publication: Shin, Dong Mok; Chung, Young Keun; Lee, In Su
• Journal of publication: Crystal Growth & Design
• Year of publication: 2002
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 493
• a: 13.0232 ± 0.0005 Å
• b: 23.4426 ± 0.0007 Å
• c: 33.1664 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10125.6 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1877
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No