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Information card for entry 7036875
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Coordinates | 7036875.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2,2,2,2,5,5,5,5-Octacarbonyl-1,3,4,6-tetraethoxy-2,5-ditungsta-dicyclopenta[b,e]thieno[3,2-d]thiophene |
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Formula | C26 H20 O12 S2 W2 |
Calculated formula | C26 H20 O12 S2 W2 |
SMILES | [W]1(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c2sc3sc4C(=[W](C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c4c3c2C=1OCC)OCC |
Title of publication | Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene. |
Authors of publication | Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 44 |
Pages of publication | 19218 - 19231 |
a | 7.2013 ± 0.0003 Å |
b | 34.2589 ± 0.0015 Å |
c | 12.5924 ± 0.0005 Å |
α | 90° |
β | 101.995 ± 0.0012° |
γ | 90° |
Cell volume | 3038.8 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0329 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for significantly intense reflections | 0.0522 |
Weighted residual factors for all reflections included in the refinement | 0.0538 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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