Information card for entry 7706982

Structure parameters

• Chemical name: Tris((1R,2R)-(-)-1,2-diphenylethylenediamine)Chromium(III)Chloride
• Formula: C96 H138 Cl6 Cr2 N12 O9 S2
• Calculated formula: C96 H138 Cl6 Cr2 N12 O9 S2
• Title of publication: Ligand control of low-frequency electron paramagnetic resonance linewidth in Cr(III) complexes.
• Authors of publication: Campanella, Anthony J.; Nguyen, Manh-Thuong; Zhang, Jun; Ngendahimana, Thacien; Antholine, William E.; Eaton, Gareth R.; Eaton, Sandra S.; Glezakou, Vassiliki-Alexandra; Zadrozny, Joseph M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 5342 - 5350
• a: 12.3901 ± 0.0005 Å
• b: 19.3151 ± 0.0008 Å
• c: 24.4122 ± 0.0011 Å
• α: 90°
• β: 104.287 ± 0.002°
• γ: 90°
• Cell volume: 5661.5 ± 0.4 ų
• Cell temperature: 100.02 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2412
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No