Information card for entry 4347399

Structure parameters

• Formula: C36 H52 Cl4 Cu2 N8 O2 P0
• Calculated formula: C36 H52 Cl4 Cu2 N8 O2
• SMILES: [Cu]123([N]4(CC[NH]3Cc3cc(C[NH]5[Cu]67([N](CC[NH]7Cc7cc(C[NH]2CC4)ccc7)(CC5)Cc2[n]6cccc2)Cl)ccc3)Cc2[n]1cccc2)Cl.[Cl-].[Cl-].O.O
• Title of publication: Inhibition of the STAT3 Protein by a Dinuclear Macrocyclic Complex.
• Authors of publication: Mesquita, Lígia M; Herrera, Federico; Esteves, Catarina V.; Lamosa, Pedro; André, Vânia; Mateus, Pedro; Delgado, Rita
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3589 - 3598
• a: 8.8195 ± 0.0007 Å
• b: 14.5411 ± 0.0012 Å
• c: 17.658 ± 0.0013 Å
• α: 67.988 ± 0.004°
• β: 83.402 ± 0.004°
• γ: 73.74 ± 0.004°
• Cell volume: 2015.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No