Information card for entry 4505727

Structure parameters

• Formula: C34 H30 Fe N2 O4
• Calculated formula: C34 H30 Fe N2 O4
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)/C=C/c1ccncc1C)[c]1([cH]8[cH]7[cH]6[cH]51)/C=C/c1cc[nH+]cc1C.O=C(O)c1ccccc1C(=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: 10.238 Å
• b: 10.514 Å
• c: 14.621 ± 0.001 Å
• α: 76.225 ± 0.002°
• β: 85.982 ± 0.002°
• γ: 63.954 ± 0.002°
• Cell volume: 1372.26 ± 0.1 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: 0.0617
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.1568
• Weighted residual factors for significantly intense reflections: 0.1298
• Goodness-of-fit parameter for all reflections: 1.168
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No