Information card for entry 2201148

Structure parameters

• Formula: C62 H64 Cu2 N4 O14
• Calculated formula: C62 H64 Cu2 N4 O14
• SMILES: O1C(=CC2=[O][Cu]31([O]=CN(C)C)OC(=CC(=[O]3)c1ccccc1)c1c(O)c(C3=[O][Cu]4(OC(=C3)c3ccccc3)(OC(=CC(=[O]4)c3ccccc3)c3c(O)c2cc(c3)C)[O]=CN(C)C)cc(c1)C)c1ccccc1.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: Bis[μ-2-hydroxy-5-methyl-1,3-bis(3-oxido-κ<i>O</i>-3-phenylprop-2-enonyl-κ<i>O</i>)benzene]bis[(<i>N,N</i>-dimethylformamide-<i>O</i>)copper(II)] bis(<i>N,N</i>-dimethylformamide) solvate
• Authors of publication: Kooijman, Huub; Spek, Anthony L.; Aromí, Guillem; Gamez, Patrick; Carrero Berzal, Paula; Driessen, Willem L.; Reedijk, Jan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m223 - m225
• a: 10.784 ± 0.001 Å
• b: 29.701 ± 0.004 Å
• c: 8.8317 ± 0.001 Å
• α: 90°
• β: 93.015 ± 0.01°
• γ: 90°
• Cell volume: 2824.8 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes