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Information card for entry 4510474
Preview
| Coordinates | 4510474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H52 N8 O8 Pd S4 |
|---|---|
| Calculated formula | C54 H47 N8 O8 Pd S4 |
| SMILES | C1(=C(C#N)S[Pd]2(S1)SC(=C(C#N)S2)C#N)C#N.C1OCCOc2ccccc2OCCOCCOCCOc2ccccc2OCCOC1.n1ccc(c2cc[n+](CC[n+]3ccc(c4ccncc4)cc3)cc2)cc1 |
| Title of publication | Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions |
| Authors of publication | Madhu, Vedichi; Das, Samar K. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 5 |
| Pages of publication | 2343 |
| a | 12.2674 ± 0.0009 Å |
| b | 12.6097 ± 0.0009 Å |
| c | 20.1508 ± 0.0014 Å |
| α | 100.108 ± 0.001° |
| β | 99.267 ± 0.001° |
| γ | 114.157 ± 0.001° |
| Cell volume | 2704.3 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1265 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.825 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268283 (current) | 2021-08-30 | cif/4: Fixing Z values and formulae |
4510474.cif |
| 179651 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/04. |
4510474.cif |
| 115660 | 2014-06-05 | cif/ Updating files of 4510472, 4510473, 4510474, 4510475, 4510476 Original log message: Adding full bibliography for 4510472--4510476.cif. |
4510474.cif |
| 110776 | 2014-04-20 | cif/ Adding structures of 4510472, 4510473, 4510474, 4510475, 4510476 via cif-deposit CGI script. |
4510474.cif |
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Users of the data should acknowledge the original authors of the
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