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Information card for entry 4508316
Preview
| Coordinates | 4508316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Cd(MeDPA)(N3)2]2 |
|---|---|
| Formula | C26 H30 Cd2 N18 |
| Calculated formula | C26 H30 Cd2 N18 |
| SMILES | C1[N]2(Cc3cccc[n]3[Cd]32([n]2ccccc12)([N](=N#N)[Cd]12([n]4ccccc4C[N]1(Cc1cccc[n]21)C)([N]3=N#N)N=N#N)N=N#N)C |
| Title of publication | One-Dimensional Cadmium Polymers with Alternative di(EO/EE) and di(EO/EO/EO/EE) Bridged Azide Bonding Modes |
| Authors of publication | Mautner, Franz A.; Louka, Febee R.; Hofer, Johannes; Spell, Mark; Lefèvre, Antoine; Guilbeau, Ashley E.; Massoud, Salah S. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 10 |
| Pages of publication | 4518 |
| a | 8.5266 ± 0.0008 Å |
| b | 8.7729 ± 0.0009 Å |
| c | 11.163 ± 0.0013 Å |
| α | 76.051 ± 0.017° |
| β | 74.229 ± 0.018° |
| γ | 80.68 ± 0.02° |
| Cell volume | 775.73 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.019 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.0457 |
| Weighted residual factors for all reflections included in the refinement | 0.0459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4508316.cif |
| 179619 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/83. |
4508316.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4508316.cif |
| 89000 | 2013-10-09 | cif/ Adding structures of 4508316 via cif-deposit CGI script. |
4508316.cif |
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Users of the data should acknowledge the original authors of the
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