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Information card for entry 1543997
Preview
| Coordinates | 1543997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H44 Cd3 N6 O26 S2 |
|---|---|
| Calculated formula | C38 H40 Cd3 N6 O26 S2 |
| 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 | 10.0914 ± 0.0015 Å |
| b | 10.0967 ± 0.0014 Å |
| c | 14.241 ± 0.002 Å |
| α | 85.157 ± 0.003° |
| β | 72.356 ± 0.002° |
| γ | 60.693 ± 0.003° |
| Cell volume | 1202.2 ± 0.3 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| 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. |
1543997.cif |
| 186089 | 2016-08-31 | cif/ Adding structures of 1543997 via cif-deposit CGI script. |
1543997.cif |
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Users of the data should acknowledge the original authors of the
structural data.