Information card for entry 2226659

Structure parameters

• Chemical name: Tetrakis{μ~3~-2-[(2-hydroxyethyl)amino]ethanolato}tetrakis[chloridonickel(II)] methanol solvate
• Formula: C17 H44 Cl4 N4 Ni4 O9
• Calculated formula: C17 H44 Cl4 N4 Ni4 O9
• SMILES: [Ni]1234(Cl)[O]5([Ni]678(Cl)[O]1([Ni]19%10(Cl)[O]%116[Ni]65(Cl)([O]21CC[NH]9CC[OH]%10)[OH]CC[NH]6CC%11)CC[NH]8CC[OH]7)CC[NH]4CC[OH]3.OC
• Title of publication: Tetrakis{μ~3~-2-[(2-hydroxyethyl)amino]ethanolato}tetrakis[chloridonickel(II)] methanol solvate
• Authors of publication: Yu, Youzhu; Guo, Yuhua; Lv, Lei; Li, Dacheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m861
• a: 10.8244 ± 0.0012 Å
• b: 11.5609 ± 0.0013 Å
• c: 13.2797 ± 0.0017 Å
• α: 91.741 ± 0.001°
• β: 91.845 ± 0.001°
• γ: 111.283 ± 0.002°
• Cell volume: 1546.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes