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Information card for entry 1546806
Preview
| Coordinates | 1546806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Complex of AgBF4 with tris(2-pyridyl)phosphine |
|---|---|
| Formula | C72 H69 Ag5 B5 F20 N15 O2 P4 |
| Calculated formula | C70.5 H64.5 Ag5 B5 F20 N15 O1.5 P4 |
| SMILES | [Ag]12[n]3c([P]45[Ag]6789[Ag]%10([n]%11c4cccc%11)([n]4c([P]7(c7[n]1cccc7)c1[n]([Ag]76[n]6c([P]8(c8[n]%10cccc8)c8[n]([Ag]([N]#CC)([n]%10c([P]9(c9[n]2cccc9)c2[n]7cccc2)cccc%10)[n]2c5cccc2)cccc8)cccc6)cccc1)cccc4)[N]#CC)cccc3.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=C(C)C.O=C(C)C.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 | 23.685 ± 0.003 Å |
| b | 22.865 ± 0.002 Å |
| c | 30.599 ± 0.003 Å |
| α | 90° |
| β | 90.97 ± 0.004° |
| γ | 90° |
| Cell volume | 16569 ± 3 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 | 0.0574 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1546806.cif |
| 214153 | 2019-03-18 | cif/1 Fixing Z values and formulae |
1546806.cif |
| 199916 | 2017-08-24 | cif/ Adding structures of 1546804, 1546805, 1546806, 1546807 via cif-deposit CGI script. |
1546806.cif |
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Users of the data should acknowledge the original authors of the
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