Information card for entry 1556686

Structure parameters

• Formula: C4 H20 B6 N3 O13.5 Zn
• Calculated formula: C4 H20 B6 N3 O13.5 Zn
• Title of publication: Hexaborate(2-) and Dodecaborate(6-) Anions as Ligands to Zinc(II) Centres: Self-Assembly and Single-Crystal XRD Characterization of [Zn{k3O-B6O7(OH)6}(k3N-dien)].0.5H2O (dien = NH(CH2-CH2NH2)2), (NH4)2[Zn{k2O-B6O7(OH)6}2 (H2O)2].2H2O and (1,3-pnH2)3[(k1N-H3N{CH2}3NH2) Zn{k3O-B12O18(OH)6}]2.14H2O (1,3-pn = 1,3-diaminopropane)
• Authors of publication: Altahan, M.A.; Beckett, M.A.; Coles, S.J.; Horton, P.N.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 44
• a: 26.0212 ± 0.0003 Å
• b: 9.1562 ± 0.0001 Å
• c: 13.6318 ± 0.0002 Å
• α: 90°
• β: 99.58 ± 0.001°
• γ: 90°
• Cell volume: 3202.55 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No