Information card for entry 7713478

Structure parameters

• Formula: C12 H20 Br4 Cu4 N16 S4
• Calculated formula: C12 H20 Br4 Cu4 N16 S4
• Title of publication: From Cu(I) and Cu(I)-Cu(II) mixed-valence clusters to 2D Cu(II) and Cu(I) coordination polymers supported by a flexible bis-tetrazole organosulfur ligand.
• Authors of publication: Gomez, Olaya Paz; Carballo, Rosa; Lago, Ana Belen; Prieto, Inmaculada; Vazquez-Lopez, Ezequiel M.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.2919 ± 0.001 Å
• b: 9.6293 ± 0.0009 Å
• c: 14.8207 ± 0.0013 Å
• α: 90°
• β: 92.996 ± 0.003°
• γ: 90°
• Cell volume: 1466.8 ± 0.2 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No