Information card for entry 7033832

Structure parameters

• Common name: Cu[Di-tert-butylsal-phenazine]
• Formula: C42 H48 Cu N4 O2
• Calculated formula: C42 H48 Cu N4 O2
• SMILES: [Cu]123[N](c4c([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)cc1nc3c(nc1c4)cccc3)=Cc1c(O2)c(C(C)(C)C)cc(c1)C(C)(C)C
• Title of publication: Synthesis, structural characterization, electronic spectroscopy, and microfluidic detection of Cu(+2) and UO2(+2) [di-tert-butyl-salphenazine] complexes.
• Authors of publication: Maynard, B. A.; Brooks, J. C.; Hardy, E. E.; Easley, C. J.; Gorden, A. E. V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4428 - 4430
• a: 9.9751 ± 0.0002 Å
• b: 12.663 ± 0.0003 Å
• c: 14.8623 ± 0.0003 Å
• α: 93.61 ± 0.001°
• β: 96.835 ± 0.001°
• γ: 98.716 ± 0.001°
• Cell volume: 1836.17 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No