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Information card for entry 4345293
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Coordinates | 4345293.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | methylene blue gold dichloride |
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Chemical name | MBAu |
Formula | C16 H18 Au Cl2 N3 S |
Calculated formula | C16 H18 Au Cl2 N3 S |
SMILES | [Au](Cl)[Cl-].[s+]1c2cc(N(C)C)ccc2nc2c1cc(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 | 8.281 ± 0.002 Å |
b | 16.134 ± 0.004 Å |
c | 14.081 ± 0.004 Å |
α | 90° |
β | 105.988 ± 0.005° |
γ | 90° |
Cell volume | 1808.5 ± 0.8 Å3 |
Cell temperature | 296.15 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.1422 |
Residual factor for significantly intense reflections | 0.1087 |
Weighted residual factors for significantly intense reflections | 0.3515 |
Weighted residual factors for all reflections included in the refinement | 0.3717 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
Diffraction radiation probe | x-ray |
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/4345293.html
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