Information card for entry 2232858

Structure parameters

• Chemical name: {1,2-Bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl- κ<i>N</i>^2^)methyl]benzene}dichloridozinc(II)
• Formula: C18 H22 Cl2 N4 Zn
• Calculated formula: C18 H22 Cl2 N4 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2n(c(cc2C)C)Cc2ccccc2Cn2[n]1c(cc2C)C
• Title of publication: {1,2-Bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]benzene}dichloridozinc(II)
• Authors of publication: Guzei, Ilia A.; Spencer, Lara C.; Budhai, Asheena; Darkwa, James
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1715 - m1716
• a: 9.083 ± 0.0008 Å
• b: 10.6375 ± 0.0009 Å
• c: 11.9558 ± 0.001 Å
• α: 111.853 ± 0.001°
• β: 95.476 ± 0.001°
• γ: 112.636 ± 0.001°
• Cell volume: 950.39 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0255
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes