Information card for entry 1551716

Structure parameters

• Formula: C66 H84 B2 N4 Ni O6
• Calculated formula: C66 H84 B2 N4 Ni O6
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C[O]1CC[NH]2CC[O](C)[Ni]312([NH](CC[O]3C)CCOC)[O]=CN(C)C.CN(C)C=O
• Title of publication: Synthesis and Crystal Structure of a Nickel(II) Complex with Bis(2-methoxyethyl)amine
• Authors of publication: YAMAGUCHI, Ryo; TASAKI, Moriya; ASATO, Eiji; SAKIYAMA, Hiroshi
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2011
• Journal volume: 27
• Pages of publication: 5
• a: 11.6898 ± 0.0018 Å
• b: 29.013 ± 0.005 Å
• c: 17.856 ± 0.003 Å
• α: 90°
• β: 90.345 ± 0.002°
• γ: 90°
• Cell volume: 6055.9 ± 1.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No