Information card for entry 7245733

Structure parameters

• Formula: C17 H15 Cl Cu N2 O6.5
• Calculated formula: C17 H15 Cl Cu N2 O6.5
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14([O]=C(C=C(C)O1)C)OCl(=O)(=O)=O.O
• Title of publication: Copper(ii) curcumin complexes for endoplasmic reticulum targeted photocytotoxicity
• Authors of publication: Banaspati, Atrayee; Ramu, Vanitha; Raza, Md Kausar; Goswami, Tridib K.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 47
• Pages of publication: 30722 - 30733
• a: 8.596 ± 0.002 Å
• b: 10.119 ± 0.002 Å
• c: 12.532 ± 0.003 Å
• α: 97.262 ± 0.011°
• β: 105.219 ± 0.011°
• γ: 111.17 ± 0.011°
• Cell volume: 950.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No