Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4109095
Preview
| Coordinates | 4109095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C130 H172 N8 O6 P8 Pt4 |
|---|---|
| Calculated formula | C130 H170 N8 O14 P8 Pt4 |
| SMILES | N(=O)(=O)[O-].N(=O)(=O)[O-].C1#Cc2cc[n](cc2)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c2ccc3ccc4ccc(cc4c3c2)[Pt]([n]2ccc(cc2)C#Cc2cc(cc(OCc3ccccc3)c2)C#Cc2cc[n](cc2)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c2ccc3ccc4ccc(cc4c3c2)[Pt]([n]2ccc(cc2)C#Cc2cc1cc(OCc1ccccc1)c2)([P](CC)(CC)CC)[P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Coordination-Driven Self-Assembly of Metallodendrimers Possessing Well-Defined and Controllable Cavities as Cores |
| Authors of publication | Hai-Bo Yang; Adam M. Hawkridge; Songping D. Huang; Neeladri Das; Scott D. Bunge; David C. Muddiman; Peter J. Stang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 2120 - 2129 |
| a | 10.05 ± 0.002 Å |
| b | 18.319 ± 0.004 Å |
| c | 21.396 ± 0.005 Å |
| α | 76.932 ± 0.004° |
| β | 80.904 ± 0.004° |
| γ | 78.553 ± 0.004° |
| Cell volume | 3734.3 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1065 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.2095 |
| Weighted residual factors for all reflections included in the refinement | 0.243 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178836 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/90. |
4109095.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109095.cif |
| 57847 | 2012-05-22 | cif/ Adding structures of 4109095 via cif-deposit CGI script. |
4109095.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.