Information card for entry 7107354

Structure parameters

• Formula: C36 H28 Cl4 Co2 N8 O4
• Calculated formula: C36 H28 Cl4 Co2 N8 O4
• SMILES: Cl[Co]1(Cl)[n]2ccc(cc2)C(=O)Nc2ccccc2NC(=O)c2cc[n](cc2)[Co]([n]2ccc(cc2)C(=O)Nc2ccccc2NC(=O)c2cc[n]1cc2)(Cl)Cl
• Title of publication: Supramolecular isomerism of a metallocyclic dipyridyldiamide ligand metal halide system generating isostructural (Hg, Co and Zn) porous materials
• Authors of publication: Christopher D. Jones; Jin Chong Tan; Gareth O. Lloyd
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2110
• a: 7.3899 ± 0.0005 Å
• b: 11.5287 ± 0.001 Å
• c: 23.764 ± 0.002 Å
• α: 90°
• β: 94.81 ± 0.006°
• γ: 90°
• Cell volume: 2017.5 ± 0.3 ų
• Cell temperature: 120.1 K
• Ambient diffraction temperature: 120.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No