Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543998
Preview
| Coordinates | 1543998.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H13 Cd N3 O8 S |
|---|---|
| Calculated formula | C19 H13 Cd N3 O8 S |
| Title of publication | Divalent metal sulfoisophthalate coordination polymers with isomeric pyridylnicotinamide coligands |
| Authors of publication | Peter E. Kraft; Jessica E. Mizzi; Robert L. LaDuc |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2014 |
| Pages of publication | 449 - 457 |
| a | 7.0135 ± 0.0007 Å |
| b | 15.6662 ± 0.0015 Å |
| c | 17.7329 ± 0.0017 Å |
| α | 90° |
| β | 95.094 ± 0.001° |
| γ | 90° |
| Cell volume | 1940.7 ± 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 | 0.0398 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211137 (current) | 2018-09-24 | cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433. |
1543998.cif |
| 186090 | 2016-08-31 | cif/ Adding structures of 1543998 via cif-deposit CGI script. |
1543998.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.