Information card for entry 7006706

Structure parameters

• Common name: (Zn(L(BzL)2).2CH3CN
• Formula: C46 H56 N6 O2 Zn
• Calculated formula: C46 H56 N6 O2 Zn
• SMILES: O1c2c(cc(cc2c2[nH]c3c(cccc3)[n]2[Zn]21[n]1c([nH]c3c1cccc3)c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.C(#N)C.C(#N)C
• 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: 26.595 ± 0.004 Å
• b: 8.12 ± 0.0011 Å
• c: 20.435 ± 0.003 Å
• α: 90°
• β: 103.777 ± 0.002°
• γ: 90°
• Cell volume: 4286 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No