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Information card for entry 1544000
Preview
| Coordinates | 1544000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 N3 O9.5 S Zn |
|---|---|
| Calculated formula | C19 H14 N3 O9.5 S Zn |
| 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 | 8.0802 ± 0.0006 Å |
| b | 8.576 ± 0.0007 Å |
| c | 15.1231 ± 0.0012 Å |
| α | 95.933 ± 0.001° |
| β | 92.595 ± 0.001° |
| γ | 104.682 ± 0.001° |
| Cell volume | 1005.53 ± 0.14 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 | 0.0341 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
1544000.cif |
| 186093 | 2016-08-31 | cif/ Adding structures of 1544000 via cif-deposit CGI script. |
1544000.cif |
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Users of the data should acknowledge the original authors of the
structural data.