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Information card for entry 1545250
Preview
| Coordinates | 1545250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 Cr Gd O11 |
|---|---|
| Calculated formula | C20 H23 Cr Gd O11 |
| SMILES | [Gd]123([O]=C(O1)[c]14[Cr]5678([cH]1[cH]5[cH]6[cH]7[cH]48)(C#[O])(C#[O])C#[O])(OC(=CC(=[O]2)C)C)(OC(=CC(=[O]3)C)C)([OH2])[OH2] |
| Title of publication | Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism. |
| Authors of publication | Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 10 |
| Pages of publication | 3369 - 3380 |
| a | 6.4819 ± 0.0005 Å |
| b | 13.6371 ± 0.001 Å |
| c | 14.9951 ± 0.0011 Å |
| α | 116.902 ± 0.0019° |
| β | 99.17 ± 0.002° |
| γ | 91.939 ± 0.002° |
| Cell volume | 1158.45 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0652 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195053 (current) | 2017-04-05 | cif/ Updating files of 1545244, 1545245, 1545246, 1545247, 1545248, 1545249, 1545250, 1545251 Original log message: Adding full bibliography for 1545244--1545251.cif. |
1545250.cif |
| 192010 | 2017-02-13 | cif/ Adding structures of 1545244, 1545245, 1545246, 1545247, 1545248, 1545249, 1545250, 1545251 via cif-deposit CGI script. |
1545250.cif |
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Users of the data should acknowledge the original authors of the
structural data.