Information card for entry 1551660

Structure parameters

• Formula: C35 H53 B N2 Ni O7
• Calculated formula: C35 H53 B N2 Ni O7
• SMILES: [Ni]1234([OH]CC[NH]3CC[OH]1)[OH]CC[NH]4CCO2.OC.OC.OC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Dimeric Structure of a Nickel(II) Complex with 2,2^|^prime;-Iminodiethanol Composed by the Hydrogen-Bonding Network
• Authors of publication: YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2014
• Journal volume: 30
• Journal issue: 0
• Pages of publication: 53
• a: 12.5322 ± 0.0003 Å
• b: 17.3577 ± 0.0004 Å
• c: 16.1681 ± 0.0004 Å
• α: 90°
• β: 97.112 ± 0.007°
• γ: 90°
• Cell volume: 3489.99 ± 0.15 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0263
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No