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Information card for entry 4339971
Preview
| Coordinates | 4339971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H72 N5 O2 V |
|---|---|
| Calculated formula | C59 H72 N5 O2 V |
| SMILES | [V]12(=Nc3c(cc(cc3C)C)C)N(c3c(Cc4c(O1)c(cc(c4)C)C(C)(C)C)cc(cc3Cc1c(O2)c(cc(c1)C)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C.c1(c(cc(cc1C)C)C)N=N#N |
| 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 | 11.032 ± 0.003 Å |
| b | 14.833 ± 0.005 Å |
| c | 16.368 ± 0.005 Å |
| α | 85.84 ± 0.007° |
| β | 83.155 ± 0.008° |
| γ | 79.888 ± 0.007° |
| Cell volume | 2614.4 ± 1.4 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0755 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.1434 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179502 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99. |
4339971.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. |
4339971.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. |
4339971.cif |
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Users of the data should acknowledge the original authors of the
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