Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070507
Preview
| Coordinates | 4070507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H36 B8 P2 Pt |
|---|---|
| Calculated formula | C27 H36 B8 P2 Pt |
| SMILES | [Pt]123([P](c4ccccc4)(c4ccccc4)CC[P]1(c1ccccc1)c1ccccc1)[BH]145[BH]678[BH]9%10%11[CH2]([BH]%127%10[BH]358[H]%12)[BH]35%11[BH]169[BH]243[H]5 |
| Title of publication | Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes |
| Authors of publication | Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 9 |
| Pages of publication | 2099 |
| a | 11.4458 ± 0.0003 Å |
| b | 20.8605 ± 0.0005 Å |
| c | 16.5321 ± 0.0004 Å |
| α | 90° |
| β | 123.187 ± 0.001° |
| γ | 90° |
| Cell volume | 3303.44 ± 0.15 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 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 | 0.0379 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0569 |
| Weighted residual factors for all reflections included in the refinement | 0.0598 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178594 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05. |
4070507.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070507.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070507.cif |
| 41827 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070503, 4070504, 4070505, 4070506, 4070507, 4070508, 4070509, 4070510, 4070511, 4070512 via cif-deposit CGI script. |
4070507.cif |
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.