Information card for entry 7012584

Structure parameters

• Common name: (ZnL2)(BF4).2CH2Cl2.0.75pentane
• Formula: C62.5 H70.25 B Cl4 F4 N4 O2 Zn
• Calculated formula: C62.5 H69 B Cl4 F4 N4 O2 Zn
• Title of publication: A phenol?imidazole pro-ligand that can exist as a phenoxyl radical, alone and when complexed to copper(ii) and zinc(ii)Based on the presentation given at Dalton Discussion No. 5, 10?12th April 2003, Noordwijkerhout, The Netherlands.
• Authors of publication: Benisvy, Laurent; Blake, Alexander J.; Collison, David; Stephen Davies, E.; David Garner, C.; McInnes, Eric J. L.; McMaster, Jonathan; Whittaker, Gavin; Wilson, Claire
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1975
• a: 13.964 ± 0.004 Å
• b: 17.079 ± 0.005 Å
• c: 28.31 ± 0.009 Å
• α: 90°
• β: 91.729 ± 0.006°
• γ: 90°
• Cell volume: 6749 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1712
• Residual factor for significantly intense reflections: 0.1178
• Weighted residual factors for significantly intense reflections: 0.3306
• Weighted residual factors for all reflections included in the refinement: 0.3686
• 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