Information card for entry 2228399

Structure parameters

• Chemical name: [μ-1,3-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)propan- 2-olato-κ^2^<i>O</i>:<i>O</i>]bis[(ethanol-κ<i>O</i>)zinc(II)] bis(perchlorate)
• Formula: C30 H50 Cl2 N8 O12 Zn2
• Calculated formula: C30 H50 Cl2 N8 O12 Zn2
• SMILES: Cc1cc(C)n2[n]1[Zn]13([OH]CC)[n]4c(cc(C)n4CC5[O]3[Zn]3([n]4c(C)cc(C)n4C5)([n]4c(cc(C)n4CC([O]13)C2)C)[OH]CC)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: [μ-1,3-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)propan-2-olato-κ^2^<i>O</i>:<i>O</i>]bis[(ethanol-κ<i>O</i>)zinc(II)] bis(perchlorate)
• Authors of publication: Tian, Da-Min; Shi, Chong-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1520
• a: 8.857 ± 0.0018 Å
• b: 11.148 ± 0.002 Å
• c: 11.3 ± 0.002 Å
• α: 111.13 ± 0.03°
• β: 100.4 ± 0.03°
• γ: 100.11 ± 0.03°
• Cell volume: 987.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes