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Information card for entry 7024109
Preview
| Coordinates | 7024109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 'homoleptic bis(1,4,8,11,15,18,22,25- octa(butyloxy)phthalocyaninato) europium do |
|---|---|
| Formula | C128 H160 Eu N16 O16 |
| Calculated formula | C128 H160 Eu N16 O16 |
| SMILES | [Eu]123456(n7c8=Nc9[n]2c(=Nc2n1c(N=c1[n]3c(N=c7c3c8c(OCCCC)ccc3OCCCC)c3c1c(OCCCC)ccc3OCCCC)c1c2c(OCCCC)ccc1OCCCC)c1c9c(OCCCC)ccc1OCCCC)n1c2N=c3[n]6c(N=c6n5c(=Nc5[n]4c(=Nc1c1c2c(OCCCC)ccc1OCCCC)c1c5c(OCCCC)ccc1OCCCC)c1c6c(OCCCC)ccc1OCCCC)c1c(OCCCC)ccc(OCCCC)c31 |
| Title of publication | Bis[1,4,8,11,15,18,22,25-octa(butyloxyl)phthalocyaninato] rare earth double-decker complexes: synthesis, spectroscopy, and molecular structure. |
| Authors of publication | Gao, Yingning; Li, Renjie; Dong, Shuai; Bian, Yongzhong; Jiang, Jianzhuang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 5 |
| Pages of publication | 1321 - 1327 |
| a | 18.8556 ± 0.0008 Å |
| b | 33.6405 ± 0.0014 Å |
| c | 22.3824 ± 0.0009 Å |
| α | 90° |
| β | 105.039 ± 0.002° |
| γ | 90° |
| Cell volume | 13711.2 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.2384 |
| Residual factor for significantly intense reflections | 0.0969 |
| Weighted residual factors for significantly intense reflections | 0.2473 |
| Weighted residual factors for all reflections included in the refinement | 0.3568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179946 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/41. |
7024109.cif |
| 92173 | 2014-01-12 | cif/ Adding structures of 7024109, 7024110 via cif-deposit CGI script. |
7024109.cif |
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