Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106908
Preview
Coordinates | 8106908.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H34 N O8 P Re2 S2 |
---|---|
Calculated formula | C43 H34 N O8 P Re2 S2 |
Title of publication | Crystal structure of hexacarbonyl bis(μ2-2-methoxybenzenethiolato-κ2 S)pyridine(triphenylphosphane)dirhenium(I), C43H34NO8PS2Re2 |
Authors of publication | Nkoe, Pheello Isaac; Koen, Renier; Brink, Alice; Schutte-Smith, Marietjie |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 2 |
Pages of publication | 461 - 464 |
a | 12.165 ± 0.008 Å |
b | 19.027 ± 0.011 Å |
c | 18.848 ± 0.014 Å |
α | 90° |
β | 108.735 ± 0.002° |
γ | 90° |
Cell volume | 4131 ± 5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0483 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for all reflections included in the refinement | 0.0683 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
281800 (current) | 2023-03-10 | cif/ Adding structures of 8106908 via cif-deposit CGI script. |
8106908.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.