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Information card for entry 1556688
Preview
Coordinates | 1556688.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C7.5 H49 B12 N5 O31 Zn |
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Calculated formula | C7.5 H49 B12 N5 O31 Zn |
SMILES | [B]123[O]4[Zn]5([NH2]CCC[NH3])[O]6B(O1)(OB(O3)O)OB(O)O[B]16O[B]3([O]5[B]5(OB(O3)O)OB(O)O[B]4(OB(O2)O)O5)OB(O1)O.C([NH3+])CC[NH3+].[NH3+]CCC[NH3+].O.O.O.O.O.O.O |
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 | 9.3681 ± 0.0002 Å |
b | 10.691 ± 0.0002 Å |
c | 19.2746 ± 0.0004 Å |
α | 82.954 ± 0.002° |
β | 76.156 ± 0.002° |
γ | 68.655 ± 0.002° |
Cell volume | 1744.44 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0439 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.1046 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.191 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1556688.html
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