Information card for entry 2014342

Structure parameters

• Chemical name: Dichloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]zinc(II)
• Formula: C11 H16 Cl2 N4 Zn
• Calculated formula: C11 H16 Cl2 N4 Zn
• SMILES: [Zn]1(Cl)(Cl)n2[n](c(cc2C)C)Cn2[n]1c(cc2C)C
• Title of publication: Dichloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]zinc(II) and di-μ-chloro-bis{chloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]cadmium(II)}
• Authors of publication: Cheng, Mei-Ling; Li, Hong-Xi; Zhang Yong; Lang, Jian-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m74 - m77
• a: 14.9018 ± 0.0017 Å
• b: 16.7328 ± 0.0017 Å
• c: 12.5546 ± 0.0014 Å
• α: 90°
• β: 113.446 ± 0.002°
• γ: 90°
• Cell volume: 2872 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes