Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1513307
Preview
| Coordinates | 1513307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H15 O9 Ru4 S2 |
|---|---|
| Calculated formula | C29 H15 O9 Ru4 S2 |
| SMILES | [Ru]1234567([Ru]89%10%11([Ru]%12%131([Ru]28(C#[O])(C#[O])C#[O])([C]1%11[CH]%10=[CH]9[c]27[c]3([cH]4[c]5([c]62[CH]%13=[CH]%121)c1sccc1C)c1sccc1C)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | Post-coordination of multinuclear transitional metal clusters to azulene-based polymers: a novel strategy for tuning properties in π-conjugated polymers |
| Authors of publication | Wang, Fuke; Lai, Yee-Hing; Han, Ming Yong |
| Journal of publication | Organic Letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 25 |
| Pages of publication | 4791 - 4794 |
| a | 9.1307 ± 0.0005 Å |
| b | 15.8717 ± 0.0008 Å |
| c | 23.0328 ± 0.0012 Å |
| α | 103.02 ± 0.001° |
| β | 97.18 ± 0.001° |
| γ | 97.46 ± 0.001° |
| Cell volume | 3183.2 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0857 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1538 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 1507397 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218686 (current) | 2019-09-22 | cif/1/ Marked entry 1513307 as a duplicate of entry 1507397. |
1513307.cif |
| 218685 | 2019-09-22 | cif/1/ Updated bibliographic information in entries 1507397, 1513307. |
1513307.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513307.cif |
| 108723 | 2014-04-03 | cif/1 Fixing formula and Z values |
1513307.cif |
| 99224 | 2014-01-30 | cif/ Adding structures of 1513307 via cif-deposit CGI script. |
1513307.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.