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Information card for entry 1520076
Preview
| Coordinates | 1520076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H108 Ag2 B20 P6 |
|---|---|
| Calculated formula | C108 H108 Ag2 B20 P6 |
| SMILES | [Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[BH]1234[B]5678([BH]9%101[BH]1%112[BH]235[BH]35%11[BH]%11%101[BH]169[BH]723[BH]5%111)[BH]123[B]56748[BH]481[BH]192[BH]235[BH]359[BH]981[BH]164[BH]723[BH]591 |
| Title of publication | Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane |
| Authors of publication | Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 46 |
| Pages of publication | 8870 |
| a | 12.828 ± 0.0006 Å |
| b | 25.0953 ± 0.0011 Å |
| c | 21.3666 ± 0.0009 Å |
| α | 90° |
| β | 131.748 ± 0.001° |
| γ | 90° |
| Cell volume | 5131.8 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0587 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 173731 (current) | 2016-01-09 | cif/ Updating files of 1520076, 1520077, 1520078 Original log message: Adding full bibliography for 1520076--1520078.cif. |
1520076.cif |
| 137516 | 2015-05-29 | cif/ Adding structures of 1520076, 1520077, 1520078 via cif-deposit CGI script. |
1520076.cif |
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Users of the data should acknowledge the original authors of the
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