Information card for entry 4505724

Structure parameters

• Formula: C32 H30 Fe N2 O6
• Calculated formula: C32 H26 Fe N2 O6
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)/C=C/c1ccncc1)[c]1([cH]5[cH]6[cH]7[cH]81)/C=C/c1cc[nH+]cc1.c1(cc(ccc1)C(=O)O)C(=O)[O-].O.O
• Title of publication: Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids
• Authors of publication: Lee, In Su; Shin, Dong Mok; Chung, Young Keun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 521
• a: 9.4041 ± 0.0018 Å
• b: 9.801 ± 0.003 Å
• c: 16.376 ± 0.005 Å
• α: 91.8 ± 0.02°
• β: 102.506 ± 0.019°
• γ: 106.834 ± 0.019°
• Cell volume: 1403.2 ± 0.7 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: 0.1374
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No