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Information card for entry 7112933
Preview
| Coordinates | 7112933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H74 Cu7 N24 O26 |
|---|---|
| Calculated formula | C54 H74 Cu7 N24 O26 |
| SMILES | Cc1c(c(C)[n]2n1[Cu]134([n]5n(c(C)c(N(=O)=O)c5C)[Cu]567[O]1[Cu]12(n2c(C)c(c([n]52)C)N(=O)=O)[O]=C(C)[O]1[Cu]12([O]4C(=[O]3)C)([O]6C(=[O]7)C)[O]3C(=[O][Cu]453(n3c(C)c(c(C)[n]3[Cu]36(n7c(C)c(c([n]7[Cu]7(n8[n]4c(c(N(=O)=O)c8C)C)([O]53)[O]=C(C)[O]27)C)N(=O)=O)[O]=C(C)[O]16)N(=O)=O)[N]#CC)C)[N]#CC)N(=O)=O.C(#N)C.N#CC.C(#N)C.C(#N)C |
| 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 | 11.638 ± 0.002 Å |
| b | 13.075 ± 0.003 Å |
| c | 13.262 ± 0.003 Å |
| α | 100.86 ± 0.03° |
| β | 93.47 ± 0.03° |
| γ | 104.97 ± 0.03° |
| Cell volume | 1901.9 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1042 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.1272 |
| Weighted residual factors for all reflections included in the refinement | 0.1481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 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. |
7112933.cif |
| 112169 | 2014-04-30 | cif/ Adding structures of 7112931, 7112932, 7112933, 7112934 via cif-deposit CGI script. |
7112933.cif |
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Users of the data should acknowledge the original authors of the
structural data.