Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1546829
Preview
Coordinates | 1546829.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C142 H98 B2 F48 P4 Rh2 |
---|---|
Calculated formula | C142 H98 B2 F48 P4 Rh2 |
Title of publication | Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple |
Authors of publication | Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B. |
Journal of publication | Dalton Transactions |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 35 |
Pages of publication | 11645 - 11655 |
a | 13.2601 ± 0.0003 Å |
b | 14.7604 ± 0.0003 Å |
c | 18.6577 ± 0.0003 Å |
α | 105.777 ± 0.0016° |
β | 101.193 ± 0.0015° |
γ | 103.196 ± 0.0017° |
Cell volume | 3291.04 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0444 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.1004 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1546829.cif |
199938 | 2017-08-25 | cif/ Adding structures of 1546825, 1546826, 1546827, 1546828, 1546829, 1546830, 1546831 via cif-deposit CGI script. |
1546829.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.