Information card for entry 7054974

Structure parameters

• Formula: C38 H26 Br2 N6 O2 Zn
• Calculated formula: C38 H26 Br2 N6 O2 Zn
• SMILES: Brc1ccc(cc1)/N=N/c1ccc2O[Zn]3([N](=Cc2c1)c1ccccc1)[N](=Cc1c(ccc(/N=N/c2ccc(cc2)Br)c1)O3)c1ccccc1
• Title of publication: Chemical fixation of CO2into cyclic carbonates by azo-containing Schiff base metal complexes
• Authors of publication: İkiz, Mesut; İspir, Esin; Aytar, Emine; Ulusoy, Mahmut; Karabuğa, Şemistan; Aslantaş, Mehmet; Çelik, Ömer
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7786
• a: 34.9897 ± 0.0007 Å
• b: 8.3586 ± 0.0002 Å
• c: 11.8489 ± 0.0003 Å
• α: 90°
• β: 105.303 ± 0.001°
• γ: 90°
• Cell volume: 3342.52 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No