Information card for entry 7713480

Structure parameters

• Formula: C3 H5 Cu2 I2 N4 S
• Calculated formula: C3 H5 Cu2 I2 N4 S
• 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: 7.97 ± 0.0004 Å
• b: 8.349 ± 0.0005 Å
• c: 8.9632 ± 0.0005 Å
• α: 111.095 ± 0.002°
• β: 98.825 ± 0.002°
• γ: 107.631 ± 0.002°
• Cell volume: 506.69 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0198
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No