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Information card for entry 7206904
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7206904.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H5 Br4 O2 Ru |
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Calculated formula | C8 H5 Br4 O2 Ru |
Title of publication | Supramolecular interactions between hexabromoethane and cyclopentadienyl ruthenium bromides: Halogen bonding or electrostatic organisation? |
Authors of publication | Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A. |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 3 |
Pages of publication | 804 |
a | 7.5104 ± 0.0007 Å |
b | 11.904 ± 0.001 Å |
c | 29.32 ± 0.003 Å |
α | 90° |
β | 96.942 ± 0.001° |
γ | 90° |
Cell volume | 2602.1 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0597 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.0999 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7206904.html
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