Information card for entry 2207001

Structure parameters

• Chemical name: 2,4-Pentanedionatobis(dimethylaminoethanol)nickel(II) chloride
• Formula: C13 H29 Cl N2 Ni O4
• Calculated formula: C13 H29 Cl N2 Ni O4
• SMILES: [Ni]123([OH]CC[N]2(C)C)([OH]CC[N]3(C)C)OC(=CC(=[O]1)C)C.[Cl-]
• Title of publication: Bis[2-(dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II) chloride
• Authors of publication: Sohail, Manzar; Kieran C. Molloy; Mazhar, Muhammad; G. Kociok-Köhn; Khosa, M. Kaleem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2001 - m2002
• a: 13.64 ± 0.0003 Å
• b: 8.79 ± 0.0003 Å
• c: 15.231 ± 0.0005 Å
• α: 90°
• β: 100.697 ± 0.001°
• γ: 90°
• Cell volume: 1794.4 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes