Information card for entry 7053297

Structure parameters

• Chemical name: Chloro-tris(5-cyclohexylpyrazole)zinc(II) nitrate
• Formula: C27 H42 Cl N7 O3 Zn
• Calculated formula: C27 H42 Cl N7 O3 Zn
• 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: 11.9059 ± 0.0009 Å
• b: 12.3024 ± 0.0009 Å
• c: 12.4108 ± 0.0009 Å
• α: 66.546 ± 0.003°
• β: 74.875 ± 0.004°
• γ: 71.417 ± 0.004°
• Cell volume: 1561.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No