Information card for entry 2018268

Structure parameters

• Common name: [tris(2-aminoethoxy)trihydroxyhexaborato]nickel(II)
• Chemical name: [1,5,9-tris(2-aminoethoxy)-3,7,11-trihydroxy- 3,7,11-tribora-1,5,9-triborata-2,4,6,8,10,12-hexaoxa-13- oxoniatricyclo[7.3.1.0^5,13^]tridecane]nickel(II)
• Formula: C6 H21 B6 N3 Ni O13
• Calculated formula: C6 H21 B6 N3 Ni O13
• SMILES: [B]123OB(O)O[B]45[O]3[B](OB(O2)O)([O]2[Ni]36([NH2]CC[O]13)([NH2]CC2)[NH2]CC[O]56)OB(O4)O
• Title of publication: Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue
• Authors of publication: Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m338 - m341
• a: 15.2217 ± 0.0018 Å
• b: 15.2217 ± 0.0018 Å
• c: 15.2217 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3526.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes