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Information card for entry 2018155
Preview
Coordinates | 2018155.cif |
---|---|
Structure factors | 2018155.hkl |
Original IUCr paper | HTML |
Chemical name | [1,2-bis(isopropylsulfanyl)ethane-2κ^2^<i>S</i>,<i>S</i>']octachlorido- 1κ^5^<i>Cl</i>,2κ^3^<i>Cl</i>-μ-oxido-ditantalum(V) |
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Formula | C8 H18 Cl8 O S2 Ta2 |
Calculated formula | C8 H18 Cl8 O S2 Ta2 |
SMILES | [Ta]1(Cl)(Cl)(Cl)(O[Ta](Cl)(Cl)(Cl)(Cl)Cl)[S](C(C)C)CC[S]1C(C)C |
Title of publication | [Cl~5~Ta(μ-O)TaCl~3~{^<i>i^</i>PrS(CH~2~)~2~S^<i>i^</i>Pr}] and [(TaCl~4~)~2~(μ-O)(μ-Me~2~Se~2~)]: two chalcogenoether complexes of Ta~2~OCl~8~ with very different geometries |
Authors of publication | Benjamin, Sophie L.; Hyslop, Alison; Levason, William; Webster, Michael |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m221 - m223 |
a | 15.684 ± 0.003 Å |
b | 13.007 ± 0.002 Å |
c | 21.981 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4484.2 ± 1.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0479 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0668 |
Weighted residual factors for all reflections included in the refinement | 0.0724 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2018155.html
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