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Information card for entry 1556686
Preview
Coordinates | 1556686.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H20 B6 N3 O13.5 Zn |
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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 Å3 |
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 |
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