Information card for entry 7053294

Structure parameters

• Common name: Bis(5-cyclohexylpyrazole)dichlorozinc(ii)
• Chemical name: Bis(5-cyclohexylpyrazole)dichlorozinc(II)
• Formula: C18 H28 Cl2 N4 Zn
• Calculated formula: C18 H28 Cl2 N4 Zn
• SMILES: [Zn](Cl)(Cl)([n]1[nH]c(cc1)C1CCCCC1)[n]1[nH]c(cc1)C1CCCCC1
• 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: 10.6333 ± 0.0009 Å
• b: 11.5074 ± 0.0011 Å
• c: 17.861 ± 0.0017 Å
• α: 90°
• β: 97.665 ± 0.005°
• γ: 90°
• Cell volume: 2166 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0256
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No