Information card for entry 7041589

Structure parameters

• Formula: C36 H40 Br2 Cu2 N8 S4
• Calculated formula: C36 H40 Br2 Cu2 N8 S4
• SMILES: C1(NCCN1c1ccccc1)=[S][Cu]12([S](=C3NCCN3c3ccccc3)[Cu]2([S]=C2NCCN2c2ccccc2)([S]1=C1NCCN1c1ccccc1)Br)Br
• Title of publication: Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.
• Authors of publication: Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1324 - 1339
• a: 15.6581 ± 0.0017 Å
• b: 12.6438 ± 0.0015 Å
• c: 19.708 ± 0.002 Å
• α: 90°
• β: 94.694 ± 0.004°
• γ: 90°
• Cell volume: 3888.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0447
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No