Information card for entry 7008454

Structure parameters

• Formula: C25 H36 Cl2 Cu N4 O4 S6
• Calculated formula: C25 H36 Cl2 Cu N4 O4 S6
• SMILES: [Cu]12([S]=C(SN1S(=O)(=O)c1ccc(cc1)C)N(CC)CC)[S]=C(SN2S(=O)(=O)c1ccc(cc1)C)N(CC)CC.ClCCl
• Title of publication: Multiple nitrene insertions into metal-sulfur bonds of dithiocarbamate complexes: synthesis of sulfido-amido and zwitterionic tetraamido complexes.
• Authors of publication: Hogarth, Graeme; Holman, K. Travis; Pateman, Andrew; Sella, Andrea; Steed, Jonathan W.; Richards, Idris
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 16
• Pages of publication: 2688 - 2695
• a: 12.783 ± 0.0004 Å
• b: 14.535 ± 0.0004 Å
• c: 19.676 ± 0.0004 Å
• α: 90°
• β: 102.532 ± 0.001°
• γ: 90°
• Cell volume: 3568.72 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No