Information card for entry 2216099

Structure parameters

• Chemical name: {Bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine- κ^2^<i>N</i>,<i>N</i>'}dichloridozinc(II) methanol solvate
• Formula: C15 H27 Cl2 N5 O Zn
• Calculated formula: C15 H27 Cl2 N5 O Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(C)cc(C)[n]2CC[NH]1CCn1nc(C)cc1C.CO
• Title of publication: {Bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ^2^<i>N</i>,<i>N</i>'}dichloridozinc(II) methanol solvate
• Authors of publication: Lee, Rae Eun; Park, Yeon Do; Jeong, Jong Hwa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2679 - m2679
• a: 9.355 ± 0.0006 Å
• b: 9.3562 ± 0.0004 Å
• c: 13.3177 ± 0.0007 Å
• α: 83.362 ± 0.004°
• β: 72.448 ± 0.005°
• γ: 65.563 ± 0.004°
• Cell volume: 1011.77 ± 0.1 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: 0.0356
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes