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Information card for entry 7121183
Preview
| Coordinates | 7121183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H108 N12 O28 P4 Pd12 |
|---|---|
| Calculated formula | C108 H108 N12 O28 P4 Pd12 |
| SMILES | [C@@H](C)(c1ccccc1)[N]12P3(=O)[N]4([Pd]51[O]=C1C(=[O][Pd]6(O1)[N]1([C@H](C)c7ccccc7)P7(=O)[N]8([C@H](C)c9ccccc9)[Pd]9([O]=C%10C(O9)=[O][Pd]9([N]%11([C@H](C)c%12ccccc%12)P%12(=O)[N]%13([C@H](C)c%14ccccc%14)[Pd]%14%11[O]=C%11C(O%14)=[O][Pd]4(O%11)[N]3([C@H](C)c3ccccc3)[Pd]32[O]=C2C(O3)=[O][Pd]3([N]4([C@H](C)c%11ccccc%11)P%11(=O)[N]3([C@H](C)c3ccccc3)[Pd]3([O]=C%14C(O3)=[O][Pd]%13([N]9%12[C@H](C)c3ccccc3)O%14)[N]%11([C@H](C)c3ccccc3)[Pd]34[O]=C4C(O3)=[O][Pd]18O4)O2)O%10)[N]67[C@H](C)c1ccccc1)O5)[C@H](C)c1ccccc1 |
| Title of publication | Imido-P(v) trianion supported enantiopure neutral tetrahedral Pd(ii) cages. |
| Authors of publication | Rajasekar, Prabhakaran; Pandey, Swechchha; Paithankar, Harshad; Chugh, Jeetender; Steiner, Alexander; Boomishankar, Ramamoorthy |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 15 |
| Pages of publication | 1873 - 1876 |
| a | 28.288 Å |
| b | 28.288 Å |
| c | 28.288 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 22636.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 196 |
| Hermann-Mauguin space group symbol | F 2 3 |
| Hall space group symbol | F 2 2 3 |
| Residual factor for all reflections | 0.0609 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228431 (current) | 2019-11-17 | cif/ Updating files of 7121182, 7121183, 7121184, 7121185 Original log message: Adding full bibliography for 7121182--7121185.cif. |
7121183.cif |
| 205612 | 2018-01-25 | cif/ Adding structures of 7121182, 7121183, 7121184, 7121185 via cif-deposit CGI script. |
7121183.cif |
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Users of the data should acknowledge the original authors of the
structural data.