Information card for entry 7201502

Structure parameters

• Formula: C48 H36 N6 O8 Zn
• Calculated formula: C48 H36 N6 O8 Zn
• SMILES: c1[n]([Zn](OC(=O)c2ccc(cc2)c2ccc(C(=O)O)cc2)([n]2ccc(cc2)Nc2ccncc2)OC(=O)c2ccc(cc2)c2ccc(C(=O)O)cc2)ccc(c1)Nc1ccncc1
• Title of publication: Five-fold interpenetrated strongly hydrogen bonded rhomboid grid layers constructed from the aggregation of neutral coordination complexes with long pendant aromatic dicarboxylate and organodiimine ligands
• Authors of publication: Montney, Matthew R.; Supkowski, Ronald M.; LaDuca, Robert L.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 111
• a: 26.15 ± 0.007 Å
• b: 8.241 ± 0.002 Å
• c: 21.331 ± 0.006 Å
• α: 90°
• β: 119.933 ± 0.004°
• γ: 90°
• Cell volume: 3983.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No