Information card for entry 4350173

Structure parameters

• Chemical name: Tetrakis[5-{2,4,6-trimethylphenyl}pyrazole]copper(II) ditetrafluoroborate diethylether solvate
• Formula: C52 H66 B2 Cu F8 N8 O
• Calculated formula: C52 H66 B2 Cu F8 N8 O
• 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: 8.7537 ± 0.0002 Å
• b: 13.0438 ± 0.0002 Å
• c: 14.0998 ± 0.0002 Å
• α: 65.4463 ± 0.0011°
• β: 74.9735 ± 0.001°
• γ: 71.9867 ± 0.0007°
• Cell volume: 1376.57 ± 0.04 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: 0.0447
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No