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Information card for entry 7108655
Preview
| Coordinates | 7108655.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H89 N6 O2 Y |
|---|---|
| Calculated formula | C66 H89 N6 O2 Y |
| SMILES | [Y]1([O]2CCCC2)([O]2CCCC2)(n2cc(c3c2cccc3)/C=N/C(C)(C)C)(n2cc(c3c2cccc3)/C=N/C(C)(C)C)[N](=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1 |
| Title of publication | Rare-earth metal complexes having an unusual indolyl-1,2-dianion through C‒H activation with a novel η1:(μ2‒η1:η1) bonding with metals |
| Authors of publication | Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Wei, Yun; Zhang, Lijun; Wang, Fenhua; Wang, Shaoyin; Feng, Zhijun |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2012 |
| Journal volume | 48 |
| Journal issue | 98 |
| Pages of publication | 12020 - 12022 |
| a | 11.863 ± 0.0012 Å |
| b | 13.341 ± 0.0014 Å |
| c | 20.967 ± 0.002 Å |
| α | 106.19 ± 0.006° |
| β | 102.549 ± 0.013° |
| γ | 91.116 ± 0.007° |
| Cell volume | 3099.2 ± 0.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210889 (current) | 2018-09-12 | cif/7/10/86/ Updating bibliography in entries 7108649-7108655. |
7108655.cif |
| 180190 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/86. |
7108655.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7108655.cif |
| 68673 | 2012-11-19 | cif/ Adding structures of 7108649, 7108650, 7108651, 7108652, 7108653, 7108654, 7108655 via cif-deposit CGI script. |
7108655.cif |
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