Information card for entry 4350171

Structure parameters

• Chemical name: Tetrakis[5-tertbutylpyrazole]zinc(II) bis[5-tertbutylpyrazole] dihexafluorophosphate (compound 4)
• Formula: C42 H72 F12 N12 P2 Zn
• Calculated formula: C42 H72 F12 N12 P2 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: 10.2487 ± 0.0001 Å
• b: 10.2487 ± 0.0001 Å
• c: 45.1513 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4107.13 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No