Information card for entry 7012583

Structure parameters

• Common name: (ZnL2).2.5MeCN.0.3CH2Cl2
• Formula: C63.3 H70.1 Cl0.6 N6.5 O2 Zn
• Calculated formula: C63.3 H62 Cl0.6 N6.5 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: 16.9519 ± 0.0009 Å
• b: 17.827 ± 0.0009 Å
• c: 19.276 ± 0.001 Å
• α: 90°
• β: 102.088 ± 0.001°
• γ: 90°
• Cell volume: 5696.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No