Information card for entry 4350172

Structure parameters

• Chemical name: Tetrakis[5-{2,4,6-trimethylphenyl}pyrazole]zinc(II) diperchlorate bis-chloroform solvate
• Formula: C50 H58 Cl8 N8 O8 Zn
• Calculated formula: C50 H58 Cl8 N8 O8 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: 8.87 ± 0.0004 Å
• b: 13.1244 ± 0.0006 Å
• c: 14.3356 ± 0.0007 Å
• α: 79.953 ± 0.003°
• β: 79.869 ± 0.003°
• γ: 71.219 ± 0.003°
• Cell volume: 1542.89 ± 0.13 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: 0.0676
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No