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Information card for entry 1546807
Preview
| Coordinates | 1546807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Complex of AgOTf with tris(2-pyridyl)phosphine |
|---|---|
| Formula | C83 H83 Ag5 F15 N12 O21 P4 S5 |
| Calculated formula | C83 H83 Ag5 F15 N12 O21 P4 S5 |
| SMILES | [Ag]12[n]3c([P]45[Ag]67[P]8(c9[n]([Ag]%10[n]%11ccccc%11[P]6(c6[n]([Ag]([n]%11c([P]7(c7[n]([Ag]([n]%12c5cccc%12)[n]5ccccc85)cccc7)c5[n]%10cccc5)cccc%11)[n]5ccccc45)cccc6)c4[n]1cccc4)cccc9)c1[n]2cccc1)cccc3.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C |
| Title of publication | A new family of clusters containing a silver-centered tetracapped [Ag@Ag <sub>4</sub> (μ <sub>3</sub> -P) <sub>4</sub> ] tetrahedron, inscribed within a N <sub>12</sub> icosahedron |
| Authors of publication | Artem'ev, Alexander V.; Bagryanskaya, Irina Yu.; Doronina, Evgeniya P.; Tolstoy, Peter M.; Gushchin, Artem L.; Rakhmanova, Mariana I.; Ivanov, Alexander Yu.; Suturina, Anastasiya O. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 37 |
| Pages of publication | 12425 - 12429 |
| a | 16.4246 ± 0.0007 Å |
| b | 22.9762 ± 0.0011 Å |
| c | 28.4848 ± 0.0011 Å |
| α | 90° |
| β | 105.155 ± 0.002° |
| γ | 90° |
| Cell volume | 10375.6 ± 0.8 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0954 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1222 |
| Weighted residual factors for all reflections included in the refinement | 0.1457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1546807.cif |
| 199916 | 2017-08-24 | cif/ Adding structures of 1546804, 1546805, 1546806, 1546807 via cif-deposit CGI script. |
1546807.cif |
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Users of the data should acknowledge the original authors of the
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