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Information card for entry 7035894
Preview
Coordinates | 7035894.cif |
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Original paper (by DOI) | HTML |
Chemical name | alpha-[BiBr3(bp2mo)2] |
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Formula | C20 H16 Bi Br3 N4 O2 |
Calculated formula | C20 H16 Bi Br3 N4 O2 |
SMILES | [Bi]12([O]=n3c(c4[n]1cccc4)cccc3)(Br)(Br)(Br)[n]1c(c3n(=[O]2)cccc3)cccc1 |
Title of publication | Aggregation induced phosphorescent N-oxyde-2,2'-bipyridine bismuth complexes and polymorphism-dependent emission. |
Authors of publication | Toma, Oksana; Mercier, Nicolas; Allain, Magali; Forni, Alessandra; Meinardi, Francesco; Botta, Chiara |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 33 |
Pages of publication | 14589 - 14593 |
a | 9.6004 ± 0.0004 Å |
b | 15.6899 ± 0.0004 Å |
c | 22.9678 ± 0.0005 Å |
α | 97.535 ± 0.002° |
β | 93.734 ± 0.003° |
γ | 96.04 ± 0.003° |
Cell volume | 3399.76 ± 0.18 Å3 |
Cell temperature | 293 ± 0.1 K |
Ambient diffraction temperature | 293 ± 0.1 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 | 0.0384 |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for significantly intense reflections | 0.07 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
Diffraction radiation wavelength | 1.54184 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/7035894.html
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Users of the data should acknowledge the original authors of the
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