Information card for entry 7002959

Structure parameters

• Formula: C33 H42 Cl2 Co N6 O17 S2
• Calculated formula: C33 H42 Cl2 Co N6 O17 S2
• SMILES: [Co]123(Oc4c(S(=O)(=O)[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)cc(cc4S(=O)(=O)N(Cc1[nH+]cccc1)Cc1ncccc1)C)([OH2])[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.OCC
• 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: 12.8054 ± 0.001 Å
• b: 21.2676 ± 0.0014 Å
• c: 15.8384 ± 0.0011 Å
• α: 90°
• β: 96.797 ± 0.003°
• γ: 90°
• Cell volume: 4283.1 ± 0.5 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: 0.1192
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2534
• Weighted residual factors for all reflections included in the refinement: 0.2792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No