Information card for entry 1557474

Structure parameters

• Formula: C3 H5 Cl2 Cu N4 S
• Calculated formula: C3 H5 Cl2 Cu N4 S
• Title of publication: Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands
• Authors of publication: Gómez-Paz,; Carballo,; Lago,; Vázquez-López,
• Journal of publication: Chemistry
• Year of publication: 2020
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 33 - 49
• a: 20.3164 ± 0.0018 Å
• b: 6.5444 ± 0.0006 Å
• c: 12.8543 ± 0.0011 Å
• α: 90°
• β: 109.493 ± 0.003°
• γ: 90°
• Cell volume: 1611.1 ± 0.2 ų
• Cell temperature: 100.03 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No