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Information card for entry 7114449
Preview
Coordinates | 7114449.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H22 Cl Fe N3 O2 |
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Calculated formula | C22 H22 Cl Fe N3 O2 |
SMILES | [Fe]1234(Cl)Oc5ccccc5C[N]1(Cc1cccc[n]21)CC[NH]3Cc1ccccc1O4 |
Title of publication | Tuning the optical properties of Prussian blue-like complexes |
Authors of publication | Rogez, Guillaume; Marvilliers, Arnaud; Sarr, Papa; Parsons, Simon; Teat, Simon J.; Ricard, Louis; Mallah, Talal |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 14 |
Pages of publication | 1460 |
a | 13.889 ± 0.002 Å |
b | 7.6512 ± 0.0011 Å |
c | 18.908 ± 0.003 Å |
α | 90° |
β | 97.809 ± 0.003° |
γ | 90° |
Cell volume | 1990.7 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1008 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1177 |
Weighted residual factors for all reflections included in the refinement | 0.1248 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.844 |
Diffraction radiation wavelength | 0.6884 Å |
Diffraction radiation type | Synchrotron |
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/7114449.html
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