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Information card for entry 1543999
Preview
| Coordinates | 1543999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H15 Cu N3 O9 S |
|---|---|
| Calculated formula | C19 H15 Cu N3 O9 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 | 9.1424 ± 0.0007 Å |
| b | 9.8221 ± 0.0007 Å |
| c | 13.138 ± 0.001 Å |
| α | 96.645 ± 0.001° |
| β | 103.55 ± 0.001° |
| γ | 116.283 ± 0.001° |
| Cell volume | 995.22 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0375 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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. |
1543999.cif |
| 186091 | 2016-08-31 | cif/ Adding structures of 1543999 via cif-deposit CGI script. |
1543999.cif |
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Users of the data should acknowledge the original authors of the
structural data.