Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7000871
Preview
Coordinates | 7000871.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C115 H148 Cl10 Hg4 N16 O7 |
---|---|
Calculated formula | C115 H148 Cl10 Hg4 N16 O7 |
Title of publication | Synthesis and structural studies of metallamacrotricycles based on a metacyclophane in 1,3-alternate conformation bearing four imidazolyl units |
Authors of publication | Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 14 |
Pages of publication | 2552 - 2557 |
a | 23.0451 ± 0.0006 Å |
b | 20.31 ± 0.0005 Å |
c | 14.8872 ± 0.0004 Å |
α | 90° |
β | 101.148 ± 0.001° |
γ | 90° |
Cell volume | 6836.4 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1461 |
Residual factor for significantly intense reflections | 0.1158 |
Weighted residual factors for significantly intense reflections | 0.2859 |
Weighted residual factors for all reflections included in the refinement | 0.3051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
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/7000871.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.