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Information card for entry 7202205
Preview
Coordinates | 7202205.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H60 Cu3 I6 N6 O12 |
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Calculated formula | C78 H60 Cu3 I6 N6 O12 |
Title of publication | Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units |
Authors of publication | Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee |
Journal of publication | CrystEngComm |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 10 |
Pages of publication | 1335 |
a | 13.3056 ± 0.0007 Å |
b | 12.9652 ± 0.0007 Å |
c | 23.8435 ± 0.0013 Å |
α | 90° |
β | 105.518 ± 0.001° |
γ | 90° |
Cell volume | 3963.3 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0829 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.1263 |
Weighted residual factors for all reflections included in the refinement | 0.144 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.671 Å |
Diffraction radiation type | sYNCHROTRON |
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/7202205.html
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Users of the data should acknowledge the original authors of the
structural data.