Information card for entry 7051008

Structure parameters

• Chemical name: [Chloro-tris(5-tertbutylpyrazole)zinc(II)][1-phenyl-nonahydro-closo-1- carbanonaborate] pentane solvate
• Formula: C29 H52.4 B9 Cl N6 Zn
• Calculated formula: C29 H52.4 B9 Cl N6 Zn
• Title of publication: Carbaborane salts of [ZnCl(HpztBu)3]+, a host for inorganic anions (HpztBu???=???5-tert-butylpyrazole)
• Authors of publication: Renard, Sylvie L.; Franken, Andreas; Kilner, Colin A.; Kennedy, John D.; Halcrow, Malcolm A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 1634
• a: 10.8007 ± 0.0001 Å
• b: 15.4087 ± 0.0001 Å
• c: 24.7967 ± 0.0003 Å
• α: 100.366 ± 0.0004°
• β: 97.0776 ± 0.0004°
• γ: 100.92 ± 0.0006°
• Cell volume: 3932.71 ± 0.07 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: 0.0643
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No