Information card for entry 2014343

Structure parameters

• Chemical name: Di-μ-chloro-bis{chloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]cadmium(II)}
• Formula: C22 H32 Cd2 Cl4 N8
• Calculated formula: C22 H32 Cd2 Cl4 N8
• SMILES: C1n2c(C)cc([n]2[Cd]2(Cl)([n]3c(C)cc(C)n13)[Cl][Cd]1([n]3c(C)cc(C)n3Cn3c(C)cc([n]13)C)([Cl]2)Cl)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: 7.7033 ± 0.0017 Å
• b: 9.232 ± 0.002 Å
• c: 11.513 ± 0.002 Å
• α: 112.752 ± 0.019°
• β: 102.34 ± 0.02°
• γ: 97.28 ± 0.03°
• Cell volume: 717.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0189
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes