Information card for entry 7055823

Structure parameters

• Formula: C28 H30 I2 N6 O6 Zn
• Calculated formula: C28 H30 I2 N6 O6 Zn
• SMILES: c1cc(cc[n]1[Zn](I)(I)[n]1ccc(cc1)C(=O)N/N=C/c1ccc(O)cc1)C(=O)N/N=C/c1ccc(O)cc1.OC.OC
• Title of publication: Halide ion-driven self-assembly of Zn(ii) compounds derived from an asymmetrical hydrazone building block: a combined experimental and theoretical study
• Authors of publication: Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Jena, Himanshu Sekhar; Nematollahi, Parisa; Esrafili, Mehdi D.; Garczarek, Piotr; Van Hecke, Kristof; Servati Gargari, Masoumeh; Kirillov, Alexander M.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 10116
• a: 7.817 ± 0.00019 Å
• b: 13.0929 ± 0.0004 Å
• c: 30.6293 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3134.82 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No