Information card for entry 8102619

Structure parameters

• Chemical name: [1-(2-hydroxy-5-methylbenzyl)-12,15-bis(2-oxido-5-methyl-benzyl- κO)-1,12,15-triaza-3,4:9,10-dibenzo-5,8-dioxacyclo-heptadecane- κ^2^N,N']-diacetato-κ^2^O,O'-dizinc(II)
• Formula: C48 H55 N3 O9 Zn2
• Calculated formula: C48 H55 N3 O9 Zn2
• Title of publication: Crystal structure of [1-(2-hydroxy-5-methylbenzyl)-12,15-bis(2-oxido-5-methylbenzyl-kO)-1,12,15-triaza-3,4:9,10-dibenzo-5,8-dioxacycloheptadecane-k2N,N']-(diacetato-k2O,O')dizinc(II), Zn2(C44H49N3O5)(CH3CO2)2
• Authors of publication: Hong-Ye Bai; Dao-Cheng Xia; Jian-Fang Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 105
• a: 13.347 ± 0.001 Å
• b: 13.825 ± 0.001 Å
• c: 16.053 ± 0.002 Å
• α: 108.834 ± 0.001°
• β: 92.249 ± 0.001°
• γ: 112.586 ± 0.001°
• Cell volume: 2543 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No