Information card for entry 2241584

Structure parameters

• Chemical name: <i>trans</i>-Dichlorido(1,4,8,11-tetraazaundecane-κ^4^<i>N</i>)chromium(III) perchlorate
• Formula: C7 H20 Cl3 Cr N4 O4
• Calculated formula: C7 H20 Cl3 Cr N4 O4
• SMILES: [Cr]123(Cl)(Cl)[NH2]CC[NH]1CCC[NH]2CC[NH2]3.Cl(=O)(=O)(=O)[O-]
• Title of publication: Crystal structure of <i>trans</i>-dichlorido(1,4,8,11-tetraazaundecane-κ^4^<i>N</i>)chromium(III) perchlorate determined from synchrotron data
• Authors of publication: Moon, Dohyun; Choi, Jong-Ha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 424 - 427
• a: 6.473 ± 0.0013 Å
• b: 11.449 ± 0.002 Å
• c: 10.385 ± 0.002 Å
• α: 90°
• β: 102.42 ± 0.03°
• γ: 90°
• Cell volume: 751.6 ± 0.3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.62 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes