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Information card for entry 1572013
Preview
| Coordinates | 1572013.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C148 H128 N24 O62 Pd4 S6 |
|---|---|
| Calculated formula | C148 H128 N24 O62 Pd4 S6 |
| SMILES | [Pd]123[n]4cccc(c4)COC(=O)c4c[n]5[Pd]67[n]8cc(C(=O)OCc9ccc[n]2c9)cc(c8)C(=O)Oc2ccc(cc2)OC(=O)c2c[n]([Pd]8([n]9cc(C(=O)Oc%10ccc(cc%10)OC(=O)c%10cc(C(=O)OCc%11ccc[n]3c%11)c[n]7c%10)ccc9)[n]3cccc(c3)C(=O)Oc3ccc(cc3)OC(=O)c3c[n]([Pd]([n]7cc(C(=O)Oc9ccc(cc9)OC(=O)c(c4)c5)ccc7)([n]4cc(C(=O)Oc5ccc(cc5)OC(=O)c5cc(C(=O)OCc7ccc[n]1c7)c[n]6c5)ccc4)[n]1cc(C(=O)Oc4ccc(cc4)OC(=O)c4ccc[n]8c4)ccc1)ccc3)ccc2.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C |
| Title of publication | A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage. |
| Authors of publication | Sharma, Shruti; Krishnaswamy, Shobhana; Prusty, Soumyakanta; Chand, Dillip Kumar |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 29 |
| Pages of publication | 11287 - 11301 |
| a | 18.26 ± 0.02 Å |
| b | 21.68 ± 0.02 Å |
| c | 30.26 ± 0.04 Å |
| α | 106.49 ± 0.06° |
| β | 91.26 ± 0.07° |
| γ | 105.9 ± 0.04° |
| Cell volume | 10982 ± 2 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 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 | 0.177 |
| Residual factor for significantly intense reflections | 0.1007 |
| Weighted residual factors for significantly intense reflections | 0.2463 |
| Weighted residual factors for all reflections included in the refinement | 0.2999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293729 (current) | 2024-08-05 | cif/ Updating files of 1572011, 1572012, 1572013 Original log message: Adding full bibliography for 1572011--1572013.cif. |
1572013.cif |
| 292646 | 2024-06-29 | cif/ Adding structures of 1572011, 1572012, 1572013 via cif-deposit CGI script. |
1572013.cif |
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Users of the data should acknowledge the original authors of the
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