Information card for entry 2241831

Structure parameters

• Chemical name: Dichlorido{2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)
• Formula: C10 H16 Cl2 Cu N2 O
• Calculated formula: C10 H16 Cl2 Cu N2 O
• SMILES: [Cu]12(Cl)(Cl)[OH]CC([NH]2Cc2[n]1cccc2)(C)C
• Title of publication: Crystal structure of dichlorido{2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II) from synchrotron data
• Authors of publication: Shin, Jong Won; Lee, Dong Won; Kim, Dae-Woong; Moon, Dohyun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1400 - 1403
• a: 8.447 ± 0.0017 Å
• b: 9.895 ± 0.002 Å
• c: 15.254 ± 0.003 Å
• α: 90°
• β: 97.13 ± 0.03°
• γ: 90°
• Cell volume: 1265.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0235
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.61 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes