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Information card for entry 4336763
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4336763.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H15 Br3 In N3 |
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Calculated formula | C15 H15 Br3 In N3 |
SMILES | c1[n](cccc1)[In](Br)(Br)([n]1ccccc1)([n]1ccccc1)Br |
Title of publication | Structures and Stability of Molecular InBr3Pyx (x= 1-3) Complexes: Unexpected Solid State Stabilization of Dimeric In2Br6Py4As Compared to Valence-Isoelectronic Group 15 and 17 Halogen Bridging Dimers |
Authors of publication | Igor V. Kazakov; Michael Bodensteiner; Anna S. Lisovenko; Andrew V. Suvorov; Manfred Scheer; Gábor Balázs; Alexey Y. Timoshkin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 13207 - 13215 |
a | 9.3125 ± 0.0001 Å |
b | 15.0076 ± 0.0002 Å |
c | 13.4349 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1877.64 ± 0.04 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 ± 1 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0171 |
Residual factor for significantly intense reflections | 0.0166 |
Weighted residual factors for significantly intense reflections | 0.0435 |
Weighted residual factors for all reflections included in the refinement | 0.0439 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4336763.html
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Users of the data should acknowledge the original authors of the
structural data.