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Information card for entry 4313468
Preview
| Coordinates | 4313468.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Pyridylbenzimidazolium-Ytterbium-Pyridylbenzimidazolate |
|---|---|
| Chemical name | (2-(Pyridyl-)Benzimidazolium)-Tetra-(2-(Pyridyl-)Benzimidazolate-Ytte rbium(III) |
| Formula | C60 H42 N15 Yb |
| Calculated formula | C60 H42 N15 Yb |
| Title of publication | Two New Groups of Homoleptic Rare Earth Pyridylbenzimidazolates: (NC12H8(NH)2)[Ln(N3C12H8)4] with Ln = Y, Tb, Yb, and [Ln(N3C12H8)2(N3C12H9)2][Ln(N3C12H8)4](N3C12H9)2 with Ln = La, Sm, Eu |
| Authors of publication | Klaus Müller-Buschbaum; Catharina C. Quitmann |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 2742 - 2750 |
| a | 16.8303 ± 0.0007 Å |
| b | 16.8303 ± 0.0007 Å |
| c | 37.243 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10549.4 ± 0.8 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 80 |
| Hermann-Mauguin space group symbol | I 41 |
| Hall space group symbol | I 4bw |
| Residual factor for all reflections | 0.0677 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1188 |
| Weighted residual factors for all reflections included in the refinement | 0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4313468.cif |
| 179193 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/34. |
4313468.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
4313468.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313468.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313468.cif |
| 6537 | 2011-01-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4313468 via cif-deposit CGI script. |
4313468.cif |
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Users of the data should acknowledge the original authors of the
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