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Information card for entry 4510476
Preview
| Coordinates | 4510476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H52 N4 O8 S10 Zn |
|---|---|
| Calculated formula | C52 H50 N4 O8 S10 Zn |
| SMILES | C12=C(SC(=S)S1)S[Zn]1(S2)SC2=C(S1)SC(=S)S2.c1cc(ccn1)c1cc[n+](cc1)CC[n+]1ccc(c2ccncc2)cc1.c1cccc2OCCOCCOCCOc3ccccc3OCCOCCOCCOc12 |
| 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 | 12.2553 ± 0.0007 Å |
| b | 13.983 ± 0.0008 Å |
| c | 19.4427 ± 0.0011 Å |
| α | 96.987 ± 0.001° |
| β | 91.863 ± 0.001° |
| γ | 114.797 ± 0.001° |
| Cell volume | 2989.2 ± 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 | 0.1469 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.1773 |
| Weighted residual factors for all reflections included in the refinement | 0.2064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271475 (current) | 2021-12-16 | cif/4: Fixing some Z values and formulae |
4510476.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. |
4510476.cif |
| 115660 | 2014-06-05 | cif/ Updating files of 4510472, 4510473, 4510474, 4510475, 4510476 Original log message: Adding full bibliography for 4510472--4510476.cif. |
4510476.cif |
| 110776 | 2014-04-20 | cif/ Adding structures of 4510472, 4510473, 4510474, 4510475, 4510476 via cif-deposit CGI script. |
4510476.cif |
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