Information card for entry 1551620

Structure parameters

• Formula: C69 H84 B3 N3 Ni O7
• Calculated formula: C69 H84 B3 N3 Ni O7
• SMILES: [Ni]1234([OH]CC[NH]3CC[OH]1)[OH]CC[NH]4CC[OH]2.O1CC[NH]2CCO[B]12c1ccccc1.OC(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Structure of Bis(2,2&prime;-iminodiethanol-<i>N</i>,<i>O</i>,<i>O</i>&prime;)-Nickel(II) Hydrogen-Bonded to an Organoboron Coordination Complex
• Authors of publication: YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2015
• Journal volume: 31
• Journal issue: 0
• Pages of publication: 19
• a: 11.8846 ± 0.0012 Å
• b: 14.5812 ± 0.0011 Å
• c: 20.235 ± 0.002 Å
• α: 73.031 ± 0.005°
• β: 84.561 ± 0.006°
• γ: 66.297 ± 0.005°
• Cell volume: 3069.9 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.04
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No