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Information card for entry 7224181
Preview
Coordinates | 7224181.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H9 Br Cl3 I3 N2 O2 Ru |
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Calculated formula | C13 H9 Br2 Cl3 I2 N2 O2 Ru |
Title of publication | Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I) |
Authors of publication | Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 11 |
Pages of publication | 1987 |
a | 11.6841 ± 0.0006 Å |
b | 11.4179 ± 0.0006 Å |
c | 17.2077 ± 0.0009 Å |
α | 90° |
β | 105.946 ± 0.001° |
γ | 90° |
Cell volume | 2207.3 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0309 |
Residual factor for significantly intense reflections | 0.0204 |
Weighted residual factors for significantly intense reflections | 0.0454 |
Weighted residual factors for all reflections included in the refinement | 0.0494 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/7224181.html
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