Information card for entry 7002961

Structure parameters

• Formula: C35 H36 Cl2 Cu N8 O5 S2
• Calculated formula: C35 H36 Cl2 Cu N8 O5 S2
• SMILES: [Cu]12(Cl)(Cl)[N](S(=O)(=O)c3c([O-])c(S(=O)(=O)N(Cc4ncccc4)Cc4[nH+]cccc4)cc(c3)C)(Cc3[n]1cccc3)Cc1[n]2cccc1.N#CC.N#CC
• Title of publication: Coordinative flexibility in an acyclic bis(sulfonamide) ligand
• Authors of publication: Veltzé, Sune; Egdal, Rune Kirk; Johansson, Frank B.; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10495 - 10504
• a: 17.2665 ± 0.0016 Å
• b: 23.398 ± 0.003 Å
• c: 9.6361 ± 0.0011 Å
• α: 90°
• β: 106.029 ± 0.004°
• γ: 90°
• Cell volume: 3741.6 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No