Information card for entry 4106012

Structure parameters

• Formula: C33 H50 Cl4 Cu2 N6 O3 S2
• Calculated formula: C33 H50 Cl4 Cu2 N6 O3 S2
• Title of publication: Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells
• Authors of publication: Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Journal issue: 16
• Pages of publication: 6235 - 6242
• a: 9.371 ± 0.003 Å
• b: 10.681 ± 0.004 Å
• c: 12.106 ± 0.004 Å
• α: 100.153 ± 0.006°
• β: 108.798 ± 0.006°
• γ: 109.823 ± 0.006°
• Cell volume: 1022.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No