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Information card for entry 4339966
Preview
| Coordinates | 4339966.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55.5 H86 N Na3 O8 |
|---|---|
| Calculated formula | C53 H80 N Na3 O8 |
| SMILES | [Na]123([O]4[Na]5([N]1(c1c(Cc6c4c(cc(c6)C)C(C)(C)C)cc(cc1Cc1c([O]5[Na]4[O](C)CC[O]4C)c(cc(c1)C)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C)[O](CC[O]3C)C)[O](C)CC[O]2C |
| Title of publication | Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation. |
| Authors of publication | Ishida, Yutaka; Kawaguchi, Hiroyuki |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 13 |
| Pages of publication | 6775 - 6787 |
| a | 12.042 ± 0.002 Å |
| b | 16.809 ± 0.003 Å |
| c | 29.107 ± 0.006 Å |
| α | 90° |
| β | 97.968 ± 0.003° |
| γ | 90° |
| Cell volume | 5834.8 ± 1.9 Å3 |
| Cell temperature | 123.15 K |
| Ambient diffraction temperature | 123 ± 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 | 0.188 |
| Residual factor for significantly intense reflections | 0.0948 |
| Weighted residual factors for significantly intense reflections | 0.22 |
| Weighted residual factors for all reflections included in the refinement | 0.2761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4339966.cif |
| 121159 | 2014-08-05 | cif/ Updating files of 4339961, 4339962, 4339963, 4339964, 4339965, 4339966, 4339967, 4339968, 4339969, 4339970, 4339971 Original log message: Adding full bibliography for 4339961--4339971.cif. |
4339966.cif |
| 117809 | 2014-06-18 | cif/ Adding structures of 4339961, 4339962, 4339963, 4339964, 4339965, 4339966, 4339967, 4339968, 4339969, 4339970, 4339971 via cif-deposit CGI script. |
4339966.cif |
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Users of the data should acknowledge the original authors of the
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