Information card for entry 7006704

Structure parameters

• Common name: (Cu(BzL)2).4CH3CN
• Formula: C50 H62 Cu N8 O2
• Calculated formula: C50 H62 Cu N8 O2
• SMILES: [Cu]12(Oc3c(c4[nH]c5c([n]14)cccc5)cc(cc3C(C)(C)C)C(C)(C)C)Oc1c(c3[nH]c4c([n]23)cccc4)cc(cc1C(C)(C)C)C(C)(C)C.N#CC.N#CC.N#CC.N#CC
• 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: 10.0084 ± 0.0003 Å
• b: 13.0262 ± 0.0004 Å
• c: 20.3503 ± 0.0008 Å
• α: 94.968 ± 0.002°
• β: 93.835 ± 0.002°
• γ: 112.255 ± 0.003°
• Cell volume: 2431.9 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No