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Information card for entry 4069254
Preview
Coordinates | 4069254.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | trans-(o-DMTTF)2{[W(CO)5]PPh}2, C7H8 |
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Formula | C52 H38 O10 P2 S8 W2 |
Calculated formula | C52 H38 O10 P2 S8 W2 |
SMILES | [O]#C[W](C#[O])(C#[O])([P]1(C2=C([P](C3=C1SC(=C1SC(=C(C)S1)C)S3)(c1ccccc1)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])SC(=C1SC(=C(C)S1)C)S2)c1ccccc1)(C#[O])C#[O].Cc1ccccc1.Cc1ccccc1 |
Title of publication | Rigid Bis(tetrathiafulvalenes) Doubly Bridged by Phosphino Groups and Derivatives: Synthesis and Intramolecular Mixed Valence State |
Authors of publication | Danila, Ion; Biaso, Frédéric; Sidorenkova, Helena; Geoffroy, Michel; Fourmigué, Marc; Levillain, E.; Avarvari, Narcis |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 13 |
Pages of publication | 3691 |
a | 14.098 ± 0.003 Å |
b | 12.607 ± 0.003 Å |
c | 15.831 ± 0.003 Å |
α | 90° |
β | 100.44 ± 0.03° |
γ | 90° |
Cell volume | 2767.1 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0469 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0635 |
Weighted residual factors for all reflections included in the refinement | 0.0672 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4069254.html
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Users of the data should acknowledge the original authors of the
structural data.