Information card for entry 7200958

Structure parameters

• Formula: C34 H50 N2 Ni O21
• Calculated formula: C34 H32 N2 Ni O21
• SMILES: [Ni](OC(=O)c1ccc(cc1)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1ccc(cc1)C(=O)[O-])([OH2])([OH2])([OH2])([OH2])OC(=O)c1ccccc1C(=O)[O-].O.O.O.O.O.O.O.O.O
• Title of publication: Supramolecular Borromean sheet consisting of threefold parallel interwoven 44-sql layers assembled by a flexible bipyridinium ligand
• Authors of publication: Yao, Qing-Xia; Jin, Xu-Hui; Ju, Zhan-Feng; Zhang, Hai-Xia; Zhang, Jie
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1502 - 1504
• a: 13.087 ± 0.004 Å
• b: 23.552 ± 0.006 Å
• c: 13.954 ± 0.004 Å
• α: 90°
• β: 97.012 ± 0.005°
• γ: 90°
• Cell volume: 4269 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No