Information card for entry 2215112

Structure parameters

• Chemical name: Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-\ oxidoethyl]iminomethyl}phenolato)tetracopper(II)
• Formula: C44 H52 Cu4 N4 O16
• Calculated formula: C44 H52 Cu4 N4 O16
• SMILES: c12O[Cu]34[N](=Cc2cccc1)C(C[O]3[Cu]12Oc3c(C=[N]2C(C[O]1[Cu]12[N](=Cc5c(O2)cccc5)C(C[O]1[Cu]12Oc5c(C=[N]1C(C[O]42)(CO)CO)cccc5)(CO)CO)(CO)CO)cccc3)(CO)CO
• Title of publication: Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II)
• Authors of publication: Jian-Fang Dong; Lian-Zhi Li; Hong-Yu Xu; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2300 - m2300
• a: 17.209 ± 0.003 Å
• b: 17.209 ± 0.003 Å
• c: 16.836 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4986 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes