Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4316824
Preview
| Coordinates | 4316824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H84 N4 O28 Rh2 S4 |
|---|---|
| Calculated formula | C56 H84 N4 O28 Rh2 S4 |
| SMILES | O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c3c1ccc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(c31)cc2.[OH2][Rh]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[n]1c(c2[n]5cccc2)cccc1.O.O.O.O.O.O.O.[OH2][Rh]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[n]1c(cccc1)c1cccc[n]51.O.O.O.O.O.O.O |
| Title of publication | Turn-Off-and-On: Chemosensing Ensembles for Sensing Chloride in Water by Fluorescence Spectroscopy |
| Authors of publication | Thomas Riis-Johannessen; Kurt Schenk; Kay Severin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 9546 - 9553 |
| a | 11.1077 ± 0.0011 Å |
| b | 11.9281 ± 0.0012 Å |
| c | 13.6309 ± 0.0014 Å |
| α | 77.127 ± 0.008° |
| β | 80.898 ± 0.008° |
| γ | 75.852 ± 0.008° |
| Cell volume | 1696.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0606 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179248 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68. |
4316824.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316824.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316824.cif |
| 10332 | 2011-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4316824 via cif-deposit CGI script. |
4316824.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.