Information card for entry 4350269

Structure parameters

• Common name: [L14Cu4]
• Formula: C64 H100 Cu4 N4 O8 S4
• Calculated formula: C64 H100 Cu4 N4 O8 S4
• SMILES: c12c3c(c(cc1C(C)(C)C)C(C)(C)C)O[Cu]145[O]3[Cu]36([S]2CC[NH2]3)[O]2c3c(c(cc(c3O6)C(C)(C)C)C(C)(C)C)[S]3CC[NH2][Cu]623[O]2c3c(c(cc(c3O6)C(C)(C)C)C(C)(C)C)[S]3CC[NH2][Cu]623[O]4c2c(c(cc(c2O6)C(C)(C)C)C(C)(C)C)[S]5CC[NH2]1
• Title of publication: Synthesis and characterization of copper(II) complexes of cysteinyldopa and benzothiazine model ligands related to pheomelanin.
• Authors of publication: Tesema, Yohannes T.; Pham, David M.; Franz, Katherine J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6102 - 6104
• a: 13.2334 ± 0.0002 Å
• b: 13.2334 ± 0.0002 Å
• c: 38.5792 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6756.1 ± 0.2 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No