Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070512
Preview
| Coordinates | 4070512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H42 B8 I2 O P2 Pt |
|---|---|
| Calculated formula | C31 H42 B8 I2 O P2 Pt |
| SMILES | [Pt]123([P](c4ccccc4)(c4ccccc4)CC[P]1(c1ccccc1)c1ccccc1)[B]145(OCCCCI)[BH]678[BH]9%10%11[CH2]([BH]%127%10[BH]358[H]%12)[BH]35%11[BH]169[B]243(I)[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 | 10.086 ± 0.002 Å |
| b | 11.493 ± 0.002 Å |
| c | 17.784 ± 0.004 Å |
| α | 77.85 ± 0.03° |
| β | 74.33 ± 0.03° |
| γ | 71.97 ± 0.03° |
| Cell volume | 1869.2 ± 0.8 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0335 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
4070512.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070512.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070512.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. |
4070512.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.