Information card for entry 4319468

Structure parameters

• Chemical name: (μ^2^-Oxo-{[2-amino-N,N-bis(2-hydroxyethyl)-ethylamine]-zinc(II)}- {[2-amino-N,N-bis(2-hydroxyethyl)-ethylamine]-hydroxo-zinc(II)]) bistetrafluoroborate
• Formula: C12 H32 B2 F8 N4 O5 Zn2
• Calculated formula: C12 H28 B2 F8 N4 O5 Zn2
• SMILES: [Zn]123([O]([Zn]456[OH]CC[N]5(CC[OH]4)CC[NH2]6)CC[N]2(CC[OH]1)CC[NH2]3)O.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Effects of Sequential Replacement of -NH2by -OH in the Tripodal Tetraamine Tren on Its Acidity and Metal Ion Coordinating Properties
• Authors of publication: Bin Song; Jenny Reuber; Christian Ochs; F. Ekkehardt Hahn; Thomas Lügger; Chris Orvig
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1527 - 1535
• a: 7.234 ± 0.003 Å
• b: 10.99 ± 0.003 Å
• c: 15.411 ± 0.005 Å
• α: 99.87 ± 0.02°
• β: 92.1 ± 0.03°
• γ: 105.58 ± 0.03°
• Cell volume: 1158.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.153
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No