Information card for entry 7053295

Structure parameters

• Chemical name: Dichloro-bis-(5-{2-thienyl}pyrazole)zinc
• Formula: C14 H12 Cl2 N4 S2 Zn
• Calculated formula: C14 H12 Cl2 N4 S2 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: 13.0349 ± 0.0013 Å
• b: 20.252 ± 0.002 Å
• c: 14.7727 ± 0.0017 Å
• α: 90°
• β: 113.506 ± 0.005°
• γ: 90°
• Cell volume: 3576.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No