Information card for entry 2004036

Structure parameters

• Chemical name: Tetrameric copper(II) complex of 6-hydroxy-1-phenyl-3-methyl-4-azahexa-3- en-1-one
• Formula: C48 H52 Cu4 N4 O8
• Calculated formula: C48 H52 Cu4 N4 O8
• SMILES: [Cu]1234[N](CC[O]51[Cu]167[N](CC[O]18[Cu]195[N](CC[O]41[Cu]148OC(=CC(=[N]4CC[O]361)C)c1ccccc1)=C(C=C(O9)c1ccccc1)C)=C(C=C(O7)c1ccccc1)C)=C(C=C(O2)c1ccccc1)C
• Title of publication: Tetrameric Copper(II) Complex of 6-Hydroxy-3-methyl-1-phenyl-4-azahexa-3-en-1-one
• Authors of publication: Fun, H.-K.; Yip, B.-C.; Song, B.-L.; Xiong, R.-G.; You, X.-Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 1980 - 1982
• a: 30.195 ± 0.004 Å
• b: 30.195 ± 0.004 Å
• c: 14.871 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11742 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections: 0.1342
• Weighted residual factors for significantly intense reflections: 0.1294
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No