Information card for entry 7012114

Structure parameters

• Chemical name: Chloro-tris[5-tertbutylpyrazole]zinc(II) hexafluorophosphate dichloromethane solvate
• Formula: C22 H38 Cl3 F6 N6 P Zn
• Calculated formula: C22 H38 Cl3 F5.97 N6 P0.995 Zn
• Title of publication: Supramolecular anion binding by the [ZnCl(HpztBu)3]+ cation (HpztBu = 5-tert-butylpyrazole)
• Authors of publication: Renard, Sylvie L.; Kilner, Colin A.; Fisher, Julie; Halcrow, Malcolm A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4206
• a: 14.4475 ± 0.0002 Å
• b: 14.7862 ± 0.0002 Å
• c: 15.1702 ± 0.0002 Å
• α: 90.2896 ± 0.0005°
• β: 91.5739 ± 0.0005°
• γ: 96.3712 ± 0.0007°
• Cell volume: 3219.38 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No