Information card for entry 4337632

Structure parameters

• Formula: C38 H38 Fe N8 O13.22 S4
• Calculated formula: C38 H38 Fe N8 O13.213 S4
• 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: 10.0243 ± 0.0005 Å
• b: 21.3352 ± 0.0009 Å
• c: 21.2266 ± 0.001 Å
• α: 90°
• β: 94.546 ± 0.002°
• γ: 90°
• Cell volume: 4525.5 ± 0.4 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.066
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No