Information card for entry 4505841

Structure parameters

• Formula: C32 H26 Fe N2 O4
• Calculated formula: C32 H26 Fe N2 O4
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)/C=C/c1ccncc1)[c]1([cH]5[cH]6[cH]7[cH]81)/C=C/c1ccncc1.c1(ccc(cc1)C(=O)O)C(=O)O
• 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: 10.512 ± 0.0011 Å
• b: 10.6129 ± 0.0013 Å
• c: 11.9898 ± 0.0017 Å
• α: 99.491 ± 0.011°
• β: 104.692 ± 0.01°
• γ: 92.19 ± 0.009°
• Cell volume: 1271.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No