Information card for entry 2232537

Structure parameters

• Chemical name: Dichlorido[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)ethanamine- κ<i>N</i>]zinc(II)
• Formula: C7 H13 Cl2 N3 Zn
• Calculated formula: C7 H13 Cl2 N3 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2n(c(cc2C)C)CC[NH2]1
• Title of publication: Dichlorido[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)ethanamine-κ<i>N</i>]zinc(II)
• Authors of publication: Guzei, Ilia A.; Spencer, Lara C.; Segapelo, Tebogo V.; Darkwa, James
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1627 - m1628
• a: 9.06 ± 0.003 Å
• b: 8.894 ± 0.002 Å
• c: 14.26 ± 0.004 Å
• α: 90°
• β: 97.95 ± 0.03°
• γ: 90°
• Cell volume: 1138 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes