Information card for entry 7042909

Structure parameters

• Chemical name: Cis-dichloro(N-[4-(hydroxyphenyl)methyl]-2-pyridinemethamino)copper
• Formula: C56 H62 Cl8 Cu4 N10 O4
• Calculated formula: C56 H62 Cl8 Cu4 N10 O4
• SMILES: c1cccc2C[NH](Cc3ccc(O)cc3)[Cu]([n]12)(Cl)(Cl)[N]#CC.Oc1ccc(C[NH]2[Cu]3(Cl)([Cl][Cu]4(Cl)([Cl]3)[n]3ccccc3C[NH]4Cc3ccc(O)cc3)[n]3ccccc3C2)cc1.c1cccc2C[NH](Cc3ccc(O)cc3)[Cu]([n]12)(Cl)(Cl)[N]#CC
• Title of publication: Glycosylated metal chelators as anti-parasitic agents with tunable selectivity.
• Authors of publication: Reddy, Andrew; Sangenito, Leandro Stefano; Guedes, Arthur de Azevedo; Branquinha, Marta Helena; Kavanagh, Kevin; McGinley, John; Dos Santos, André Luis Souza; Velasco-Torrijos, Trinidad
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5297 - 5307
• a: 11.9914 ± 0.0006 Å
• b: 12.6755 ± 0.0006 Å
• c: 12.696 ± 0.0006 Å
• α: 113.998 ± 0.001°
• β: 96.58 ± 0.001°
• γ: 115.347 ± 0.001°
• Cell volume: 1492.65 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No