Information card for entry 7006702

Structure parameters

• Common name: BzLH
• Formula: C42 H54 N4 O3
• Calculated formula: C42 H54 N4 O3
• SMILES: Oc1c(c2[nH]c3c(n2)cccc3)cc(cc1C(C)(C)C)C(C)(C)C.O
• Title of publication: Phenoxyl radicals: H-bonded and coordinated to Cu(II) and Zn(II).
• Authors of publication: Benisvy, Laurent; Bill, Eckhard; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Garner, C. David; McArdle, Graeme; McInnes, Eric J. L.; McMaster, Jonathan; Ross, Stephanie H. K.; Wilson, Claire
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 258 - 267
• a: 12.245 ± 0.002 Å
• b: 16.869 ± 0.003 Å
• c: 19.161 ± 0.004 Å
• α: 90°
• β: 104.79 ± 0.03°
• γ: 90°
• Cell volume: 3826.8 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.1104
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No