Information card for entry 2022339

Structure parameters

• Chemical name: Poly[[tetra-μ~3~-chlorido-deca-μ~2~-chlorido-dichloridohexakis(μ~4~-<i>L</i>-cysteinato)hexadecacopper] polyhydrate]
• Formula: C36 H74.68 Cl32 Cu32 N12 O25.97 S12
• Calculated formula: C36 H74.68 Cl32 Cu32 N12 O25.97 S12
• Title of publication: Synthesis and structure of a complex of copper(I) with L-cysteine and chloride ions containing Cu12S6 nanoclusters
• Authors of publication: Gizatullin, Amir; Becker, Jonathan; Islamov, Daut; Serov, Nikita; Schindler, Siegfried; Klimovitskii, Alexander; Shtyrlin, Valery
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 324 - 330
• a: 29.4665 ± 0.0014 Å
• b: 22.1299 ± 0.0011 Å
• c: 28.9371 ± 0.0014 Å
• α: 90°
• β: 97.3964 ± 0.0014°
• γ: 90°
• Cell volume: 18712.6 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes