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Information card for entry 4345292
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Coordinates | 4345292.cif |
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Original paper (by DOI) | HTML |
Common name | Methylene blue silver dichloride |
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Chemical name | silver(I) 3,7-bis(Dimethylamino)-phenothiazin-5-ium chloride |
Formula | C16 H18 Ag Cl2 N3 S |
Calculated formula | C16 H18 Ag Cl2 N3 S |
SMILES | [Ag](Cl)(Cl)N1c2c(Sc3c1ccc(N(C)C)c3)cc(N(C)C)cc2 |
Title of publication | Hierarchy of Supramolecular Arrangements and Building Blocks: Inverted Paradigm of Crystal Engineering in the Unprecedented Metal Coordination of Methylene Blue. |
Authors of publication | Canossa, Stefano; Bacchi, Alessia; Graiff, Claudia; Pelagatti, Paolo; Predieri, Giovanni; Ienco, Andrea; Manca, Gabriele; Mealli, Carlo |
Journal of publication | Inorganic chemistry |
Year of publication | 2017 |
Journal volume | 56 |
Journal issue | 6 |
Pages of publication | 3512 - 3516 |
a | 7.412 ± 0.0015 Å |
b | 10.468 ± 0.002 Å |
c | 11.319 ± 0.002 Å |
α | 85.88 ± 0.03° |
β | 74.7 ± 0.03° |
γ | 78.63 ± 0.03° |
Cell volume | 830.3 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0701 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.1601 |
Weighted residual factors for all reflections included in the refinement | 0.165 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.7 Å |
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/4345292.html
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