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Information card for entry 1546804
Preview
| Coordinates | 1546804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Complex of silver(I) tetrafluoroborate and hexafluorophosphate witn tris(2-pyridyl)phosphine |
|---|---|
| Formula | C72 H66 Ag5 B4 F22 N18 P5 |
| Calculated formula | C72 H66 Ag5 B4 F22 N18 P5 |
| SMILES | [Ag]1([n]2c3cccc2)([N]#CC)[n]2c(cccc2)[P]2(c4[n]([Ag]5[n]6c(cccc6)[P]36[Ag]237)cccc4)c2[n](cccc2)[Ag]2[n]4c(cccc4)[P]7(c4[n]1cccc4)c1[n](cccc1)[Ag]([n]1c6cccc1)([N]#CC)[n]1c(cccc1)[P]3(c1[n]5cccc1)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC.N#CC.N#CC.N#CC |
| 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 | 14.3371 ± 0.0006 Å |
| b | 14.4204 ± 0.0005 Å |
| c | 22.4241 ± 0.0009 Å |
| α | 84.045 ± 0.001° |
| β | 87.761 ± 0.001° |
| γ | 69.157 ± 0.001° |
| Cell volume | 4309.3 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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. |
1546804.cif |
| 199916 | 2017-08-24 | cif/ Adding structures of 1546804, 1546805, 1546806, 1546807 via cif-deposit CGI script. |
1546804.cif |
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Users of the data should acknowledge the original authors of the
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