Information card for entry 4330669

Structure parameters

• Formula: C44 H56 Br3 Cu3 N8 O4 S4
• Calculated formula: C44 H56 Br3 Cu3 N8 O4 S4
• SMILES: Br[Cu]123[Cu](Br)([S]([Cu](Br)[S]1=C(Nc1ccccc1)N1CCOCC1)=C(N1CCOCC1)Nc1ccccc1)([S]2=C(N1CCOCC1)Nc1ccccc1)[S]3=C(N1CCOCC1)Nc1ccccc1
• 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: 12.8009 ± 0.0005 Å
• b: 14.6565 ± 0.0006 Å
• c: 14.8317 ± 0.0006 Å
• α: 81.033 ± 0.002°
• β: 75.174 ± 0.002°
• γ: 77.727 ± 0.002°
• Cell volume: 2613.34 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No