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Information card for entry 7222127
Preview
Coordinates | 7222127.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H44 N6 O21 W6 |
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Calculated formula | C44 H44 N6 O21 W6 |
SMILES | C1(c2ccccc2N(C21C=Nc1c(O2)ccc2[n+](cccc12)C)C)(C)C.O=[W]1234[O]5678[W]9%10%11(O[W]%126(O[W]7(O2)(O[W]5(O1)(O[W]8(O9)(O%12)(O3)=O)(O%11)=O)(O%10)=O)(O4)=O)=O.C1(c2ccccc2N(C21C=Nc1c(ccc3[n+](cccc13)C)O2)C)(C)C |
Title of publication | Influence of Electronic vs. Steric Factors on the Solid-State Photochromic Performances of New Polyoxometalate/Spirooxazine and Spiropyran Hybrid Materials |
Authors of publication | Menet, Clotilde; Brault, Hélène Serier; OMS, OLIVIER; DOLBECQ, Anne; Marrot, Jérôme; Saad, Ali; Mialane, Pierre; Jobic, Stéphane; Deniard, Philippe; Dessapt, Rémi |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 14.41 ± 0.003 Å |
b | 12.743 ± 0.003 Å |
c | 14.549 ± 0.003 Å |
α | 90° |
β | 111.339 ± 0.01° |
γ | 90° |
Cell volume | 2488.4 ± 1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0256 |
Residual factor for significantly intense reflections | 0.0208 |
Weighted residual factors for significantly intense reflections | 0.0563 |
Weighted residual factors for all reflections included in the refinement | 0.06 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/7222127.html
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Users of the data should acknowledge the original authors of the
structural data.