Information card for entry 4350169

Structure parameters

• Chemical name: Tetrakis[5-tertbutylpyrazole]zinc(II) dinitrate (compound 1)
• Formula: C28 H48 N10 O6 Zn
• Calculated formula: C27.84 H47.64 N9.98 O5.94 Zn
• Title of publication: Homoleptic zinc(II) complexes with first and second coordination shells of 5-tert-butylpyrazole.
• Authors of publication: Renard, Sylvie L.; Sylvestre, Isabelle; Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8711 - 8718
• a: 10.2597 ± 0.0005 Å
• b: 19.9558 ± 0.0011 Å
• c: 18.0052 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3686.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No