Information card for entry 7223023

Structure parameters

• Formula: C30 H34 Cu N4 O4 S2
• Calculated formula: C30 H34 Cu N4 O4 S2
• SMILES: c1[n]([Cu](S)([n]2ccc(cc2)C)([n]2ccc(cc2)C)[n]2ccc(C)cc2)ccc(c1)C.c1ccccc1S(=O)(=O)[O-].O
• Title of publication: Rich Synthetic and Structural Chemistry of Polynuclear Pb(II)-Cu(I)/Ag(I) Heterobimetallic Thiolate Clusters, their Decomposition and Generation of a Cu(II) Hydrosulfide Variant.
• Authors of publication: Gupta, Geetika; Bhattacharya, Subrato
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 28.184 ± 0.0015 Å
• b: 10.4657 ± 0.0004 Å
• c: 10.5136 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3101.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No