Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4313261
Preview
Coordinates | 4313261.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H32 B N7 S Zn |
---|---|
Calculated formula | C35 H32 B N7 S Zn |
SMILES | [Zn]123(Sc4[n]3cccc4)[n]3n(c(cc3c3ccccc3)C)[BH](n3[n]1c(cc3C)c1ccccc1)n1[n]2c(c2ccccc2)cc1C |
Title of publication | Zinc-Bound Thiolate-Disulfide Exchange: A Strategy for Inhibiting Metallo-β-lactamases |
Authors of publication | Heidi Boerzel; Margery Koeckert; Weiming Bu; Bernhard Spingler; Stephen J. Lippard |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 1604 - 1615 |
a | 11.1178 ± 0.0004 Å |
b | 12.5078 ± 0.0002 Å |
c | 22.9924 ± 0.0006 Å |
α | 90° |
β | 90.148 ± 0.002° |
γ | 90° |
Cell volume | 3197.29 ± 0.15 Å3 |
Cell temperature | 188 ± 2 K |
Ambient diffraction temperature | 188 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0481 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.0842 |
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 | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4313261.html
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.