Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240514
Preview
| Coordinates | 2240514.cif |
|---|---|
| Structure factors | 2240514.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tris[μ~2~-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']di-\ μ~3~-bromido-\ trisilver(I) bromide‒<i>N</i>,<i>N</i>'-phenylthiourea (1/1) |
|---|---|
| Formula | C82 H74 Ag3 Br3 N2 P6 S |
| Calculated formula | C82 H74 Ag3 Br3 N2 P6 S |
| Title of publication | Crystal structure of tris[μ~2~-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']di-μ~3~-bromido-trisilver(I) bromide‒<i>N</i>,<i>N</i>'-phenylthiourea (1/1) |
| Authors of publication | Nimthong-Roldán, Arunpatcha; Wattanakanjana, Yupa; Rodkeaw, Jintana |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | m89 - m90 |
| a | 10.55 ± 0.002 Å |
| b | 28.329 ± 0.006 Å |
| c | 25.622 ± 0.006 Å |
| α | 90° |
| β | 95.859 ± 0.004° |
| γ | 90° |
| Cell volume | 7618 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0673 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0972 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240514.cif 2240514.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240514.cif 2240514.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240514.cif 2240514.hkl |
| 134247 | 2015-03-22 | cif/ hkl/ Adding structures of 2240514 via cif-deposit CGI script. |
2240514.cif 2240514.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.