Information card for entry 1561200

Structure parameters

• Formula: C36 H40 Cu F6 N10 O9
• Calculated formula: C36 H40 Cu F6 N10 O9
• SMILES: c1[n](cn(C[C@]([C@@H](C)c2c(cncn2)F)(O)c2c(F)cc(F)cc2)n1)[Cu](OC(=O)C)([n]1cnn(c1)C[C@]([C@@H](C)c1c(cncn1)F)(O)c1c(F)cc(F)cc1)OC(=O)C.O.O.O
• Title of publication: Copper-based metal coordination complexes with Voriconazole ligand: Syntheses, structures and antimicrobial properties
• Authors of publication: Zhao, Yan-Ming; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 259
• Pages of publication: 19 - 27
• a: 15.983 ± 0.003 Å
• b: 6.9023 ± 0.0012 Å
• c: 18.329 ± 0.003 Å
• α: 90°
• β: 106.408 ± 0.003°
• γ: 90°
• Cell volume: 1939.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No