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Information card for entry 1518919
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Coordinates | 1518919.cif |
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Formula | C56 H88 Br4 Cl4 P6 S4 W3 |
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Calculated formula | C56 H88 Br4 Cl4 P6 S4 W3 |
SMILES | [W]12345([W]678([W]91(Br)([S]26)(S7)(S4)[P]1([C@H](C)CC[C@H]1C)c1ccccc1[P]19[C@H](C)CC[C@H]1C)(Br)(S3)[P]1([C@H](C)CC[C@H]1C)c1ccccc1[P]18[C@H](C)CC[C@H]1C)(Br)[P]1([C@H](C)CC[C@H]1C)c1ccccc1[P]15[C@H](C)CC[C@H]1C.[Br-].ClCCl.ClCCl |
Title of publication | Enantioselective synthesis of tungsten trimetallic cluster chalcogenides |
Authors of publication | Eva M. Guillamon; Marta Blasco; Rosa Llusar |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2015 |
Journal volume | 424 |
Pages of publication | 248 - 253 |
a | 12.02802 ± 0.00015 Å |
b | 24.0309 ± 0.0003 Å |
c | 12.3079 ± 0.0002 Å |
α | 90° |
β | 90.6703 ± 0.0014° |
γ | 90° |
Cell volume | 3557.28 ± 0.09 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.067 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1125 |
Weighted residual factors for all reflections included in the refinement | 0.127 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1518919.html
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Users of the data should acknowledge the original authors of the
structural data.