Information card for entry 7713479

Structure parameters

• Formula: C6 H10 Br4 Cu2 N8 S2
• Calculated formula: C6 H10 Br4 Cu2 N8 S2
• 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: 6.9967 ± 0.0005 Å
• b: 9.1986 ± 0.0008 Å
• c: 13.6109 ± 0.0011 Å
• α: 71.516 ± 0.003°
• β: 86.14 ± 0.002°
• γ: 87.7 ± 0.002°
• Cell volume: 828.76 ± 0.12 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No