Information card for entry 4313383

Structure parameters

• Formula: C35 H58.5 B2 Cu2 N20.5 O0.5 S6
• Calculated formula: C35 H57.5 B2 Cu2 N20.5 O0.5 S6
• Title of publication: Versatile Ligand Behavior of Hydrotris(4-ethyl-3-methyl-5-thioxo-1,2,4-triazolyl)borate. Syntheses and Crystal Structures of Cu(I) and Bi(III) Complexes
• Authors of publication: Maria Careri; Lisa Elviri; Maurizio Lanfranchi; Luciano Marchiò; Clara Mora; Maria Angela Pellinghelli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2109 - 2114
• a: 11.983 ± 0.001 Å
• b: 22.113 ± 0.002 Å
• c: 20.134 ± 0.002 Å
• α: 90°
• β: 97.324 ± 0.002°
• γ: 90°
• Cell volume: 5291.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0824
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No