Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7031303
Preview
| Coordinates | 7031303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | HS210 |
|---|---|
| Formula | C35 H55 B10 Cu2 N5 P2 |
| Calculated formula | C35 H55 B10 Cu2 N5 P2 |
| SMILES | C1[P]2(c3c(cccc3)N(C)C)c3c(cccc3)[N](C)(C)[Cu]342[BH]2567[BH]89%103[BH]3%112([BH]2%125[BH]568[BH]689[BH]9%103[BH]3%112[BH]%1256[BH]893)[Cu]247[N](c3c(cccc3)[P]12c1c(cccc1)N(C)C)(C)C.CC#N |
| Title of publication | Dinuclear copper complexes: coordination of Group 14 heteroborates. |
| Authors of publication | Scheel, Holger; Wiederkehr, Jessica; Eichele, Klaus; Mayer, Hermann A.; Winter, Florian; Pöttgen, Rainer; Wesemann, Lars |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 31 |
| Pages of publication | 11867 - 11876 |
| a | 35.9745 ± 0.0011 Å |
| b | 11.7365 ± 0.0004 Å |
| c | 20.8392 ± 0.0006 Å |
| α | 90° |
| β | 106.497 ± 0.002° |
| γ | 90° |
| Cell volume | 8436.4 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0892 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1024 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180019 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/13. |
7031303.cif |
| 121654 | 2014-08-08 | cif/ Updating files of 7031303, 7031304, 7031305, 7031306, 7031307, 7031308 Original log message: Adding full bibliography for 7031303--7031308.cif. |
7031303.cif |
| 116490 | 2014-06-13 | cif/ Adding structures of 7031303, 7031304, 7031305, 7031306, 7031307, 7031308 via cif-deposit CGI script. |
7031303.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.