Information card for entry 7053293

Structure parameters

• Chemical name: Dichloro-bis-(5-phenylpyrazole)zinc chloroform solvate
• Formula: C19 H17 Cl5 N4 Zn
• Calculated formula: C19 H17 Cl5 N4 Zn
• SMILES: [Zn](Cl)(Cl)([n]1[nH]c(cc1)c1ccccc1)[n]1[nH]c(cc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: The effect of different ligand substituents on the chemistry of a zinc‒pyrazole anion host
• Authors of publication: Day, Jonathan; Marriott, Katie E. R.; Kilner, Colin A.; Halcrow, Malcolm A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 52
• a: 8.8197 ± 0.0011 Å
• b: 12.0309 ± 0.0013 Å
• c: 12.1267 ± 0.0015 Å
• α: 98.231 ± 0.006°
• β: 104.297 ± 0.006°
• γ: 104.816 ± 0.006°
• Cell volume: 1175.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No