Information card for entry 4337631

Structure parameters

• Formula: C38 H38 Ga N8 O11 S4
• Calculated formula: C38 H38 Ga N8 O11 S4
• SMILES: [Ga]1234(Oc5c(S(=O)(=O)N1Cc1[n]2cccc1)cc(cc5S(=O)(=O)NCc1ncccc1)C)N(S(=O)(=O)c1c(O3)c(S(=O)(=O)NCc2ncccc2)cc(c1)C)Cc1[n]4cccc1.O
• 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: 10.1207 ± 0.001 Å
• b: 21.195 ± 0.002 Å
• c: 21.764 ± 0.003 Å
• α: 90°
• β: 95.101 ± 0.006°
• γ: 90°
• Cell volume: 4650.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1916
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No