Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7112931
Preview
| Coordinates | 7112931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H88 Cu7 N18 O32 |
|---|---|
| Calculated formula | C54 H88 Cu7 N18 O32 |
| SMILES | Cc1c(c(C)[n]2n1[Cu]134[n]5n(c(C)c(N(=O)=O)c5C)[Cu]567[n]8c(C)c(c(n8[Cu]82([O]17)(OCC)[O]=C([O]8[Cu]12([O]5C(=[O]6)C)([O]4C(=[O]3)C)[O]3C(=[O][Cu]453([n]3c(c(c(C)n3[Cu]36([n]7n(c(C)c(N(=O)=O)c7C)[Cu]7([n]8c(c(c(C)n48)N(=O)=O)C)([O]53)[O]1C(C)=[O]7)[O]=C(C)[O]26)N(=O)=O)C)OCC)C)C)C)N(=O)=O)N(=O)=O.C(C)O.C(C)O.C(C)O.C(C)O |
| Title of publication | Single-crystal-to-single-crystal structural transformations of two sandwich-like Cu(ii) pyrazolate complexes and their excellent catalytic performances in MMA polymerization. |
| Authors of publication | Li, Hong-Xi; Ren, Zhi-Gang; Liu, Dong; Chen, Yang; Lang, Jian-Ping; Cheng, Zhen-Ping; Zhu, Xiu-Lin; Abrahams, Brendan F. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 44 |
| Pages of publication | 8430 - 8432 |
| a | 13.329 ± 0.002 Å |
| b | 18.527 ± 0.003 Å |
| c | 16.144 ± 0.003 Å |
| α | 90° |
| β | 101.4 ± 0.003° |
| γ | 90° |
| Cell volume | 3908 ± 1.1 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0529 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180243 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29. |
7112931.cif |
| 112169 | 2014-04-30 | cif/ Adding structures of 7112931, 7112932, 7112933, 7112934 via cif-deposit CGI script. |
7112931.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.