Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239348
Preview
Coordinates | 7239348.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C73 H72 Cl8 Mn4 N16 O3 |
---|---|
Calculated formula | C73 H72 Cl8 Mn4 N16 O3 |
Title of publication | Two distinct tetranuclear motifs, rectangular vs. extended, are observed for complexes of a bis-tetradentate pyrimidine-based ligand |
Authors of publication | Gobeze, Worku A.; Brooker, Sally |
Journal of publication | RSC Advances |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 46 |
Pages of publication | 24307 |
a | 9.65 ± 0.005 Å |
b | 12.313 ± 0.007 Å |
c | 17.436 ± 0.01 Å |
α | 87.08 ± 0.04° |
β | 76.79 ± 0.03° |
γ | 87.47 ± 0.03° |
Cell volume | 2013.2 ± 1.9 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.2197 |
Residual factor for significantly intense reflections | 0.1191 |
Weighted residual factors for significantly intense reflections | 0.2866 |
Weighted residual factors for all reflections included in the refinement | 0.3486 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244663 (current) | 2019-11-28 | cif/ Adding structures of 7239348, 7239349, 7239350 via cif-deposit CGI script. |
7239348.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.