Information card for entry 4337630

Structure parameters

• Formula: C32 H44 Cl5 Cu2 N5 O9 S2
• Calculated formula: C32 H44 Cl5 Cu2 N5 O9 S2
• SMILES: [Cu]1234[O]5c6c(S(=O)(=O)N1Cc1[n]2cccc1)cc(cc6S(=O)(=O)N1[Cu]5([n]2c(C1)cccc2)([O]=C(O3)C)OC(=[O]4)C)C.ClC[N+](CC)(CC)CC.ClCCl.ClCCl
• Title of publication: A versatile dinucleating ligand containing sulfonamide groups.
• Authors of publication: Sundberg, Jonas; Witt, Hannes; Cameron, Lisa; Håkansson, Mikael; Bendix, Jesper; McKenzie, Christine J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2873 - 2882
• a: 9.158 ± 0.005 Å
• b: 19.566 ± 0.005 Å
• c: 23.902 ± 0.005 Å
• α: 77.309 ± 0.005°
• β: 82.883 ± 0.005°
• γ: 89.968 ± 0.005°
• Cell volume: 4144 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No