Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7117918
Preview
Coordinates | 7117918.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H124 B2 Cr2 N14 O2 |
---|---|
Calculated formula | C68 H124 B2 Cr2 N14 O2 |
Title of publication | Mechanism-based design of labile precursors for chromium(I) chemistry |
Authors of publication | Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 15402 |
a | 9.7601 ± 0.0009 Å |
b | 12.9429 ± 0.0011 Å |
c | 17.3259 ± 0.0015 Å |
α | 75.376 ± 0.003° |
β | 73.639 ± 0.003° |
γ | 68.607 ± 0.003° |
Cell volume | 1927.7 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0747 |
Residual factor for significantly intense reflections | 0.0536 |
Weighted residual factors for significantly intense reflections | 0.1292 |
Weighted residual factors for all reflections included in the refinement | 0.1435 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
165893 (current) | 2015-10-12 | cif/ Adding structures of 7117916, 7117917, 7117918, 7117919, 7117920, 7117921, 7117922, 7117923, 7117924, 7117925 via cif-deposit CGI script. |
7117918.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.