Information card for entry 2212707

Structure parameters

• Chemical name: Bis(1H-imidazole-κN^3^)bis(4-methylbenzoato-κO)zinc(II) 4-methylbenzoic acid disolvate
• Formula: C46 H42 N4 O8 Zn
• Calculated formula: C46 H42 N4 O8 Zn
• SMILES: C(=O)(c1ccc(cc1)C)O[Zn]([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)OC(=O)c1ccc(cc1)C.O=C(O)c1ccc(cc1)C.O=C(O)c1ccc(cc1)C
• Title of publication: Bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(4-methylbenzoato-κ<i>O</i>)zinc(II) 4-methylbenzoic acid disolvate
• Authors of publication: Gu, Chang-Sheng; Hao, Xiao-Min; Song, Wen-Dong; Yan, Jian-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m895 - m897
• a: 27.8162 ± 0.0015 Å
• b: 6.0773 ± 0.0003 Å
• c: 24.861 ± 0.0013 Å
• α: 90°
• β: 97.141 ± 0.003°
• γ: 90°
• Cell volume: 4170.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.128
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes