Information card for entry 4330668

Structure parameters

• Formula: C22 H26 Br Cu N4 O2 S
• Calculated formula: C22 H26 Br Cu N4 O2 S
• Title of publication: Stable Cu(I) Complexes with Thioamidoguanidine Possessing Halide-Bridge Structure
• Authors of publication: Santosh K. Sahoo; Nilufa Khatun; Himanshu Sekhar Jena; Bhisma K. Patel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10800 - 10807
• a: 15.471 ± 0.0008 Å
• b: 20.2116 ± 0.001 Å
• c: 14.673 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4588.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No