Information card for entry 7706981

Structure parameters

• Chemical name: Tris(1,3-propanediamine)Chromium(III)Chloride
• Formula: C9 H30 Cl3 Cr N6 O0.12
• Calculated formula: C10 H37 Cl3 Cr N6 O2.5
• 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: 28.4948 ± 0.0019 Å
• b: 12.0595 ± 0.0007 Å
• c: 14.7903 ± 0.0008 Å
• α: 90°
• β: 121.059 ± 0.003°
• γ: 90°
• Cell volume: 4353.8 ± 0.5 ų
• Cell temperature: 154.01 K
• Ambient diffraction temperature: 154.01 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No