Information card for entry 7216222

Structure parameters

• Formula: C28 H23 Fe N4 O11
• Calculated formula: C28 H23 Fe N4 O11
• SMILES: [Fe]123(OC(=O)C(=O)O2)(OC(=O)C(=O)O1)[n]1c2c4[n]3cccc4ccc2ccc1.c12c3ncccc3ccc2ccc[nH+]1.O.O.O
• Title of publication: Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations
• Authors of publication: Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 5437
• a: 7.599 ± 0.0005 Å
• b: 11.7318 ± 0.0007 Å
• c: 16.7071 ± 0.001 Å
• α: 88.582 ± 0.001°
• β: 88.202 ± 0.001°
• γ: 71.4 ± 0.001°
• Cell volume: 1410.78 ± 0.15 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: 0.0543
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No