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Information card for entry 2233249
Preview
| Coordinates | 2233249.cif |
|---|---|
| Structure factors | 2233249.hkl |
| Original IUCr paper | HTML |
| Chemical name | aquabis(1,1,1,5,5,5-hexafluoroacetylacetonato)[4'-(4-pyridyl)-2,2':6',2''- terpyridine]ytterbium(III) chloride methanol monosolvate monohydrate |
|---|---|
| Formula | C31 H24 Cl F12 N4 O7 Yb |
| Calculated formula | C31 H24 Cl F12 N4 O7 Yb |
| Title of publication | Aquabis(1,1,1,5,5,5-hexafluoroacetylacetonato)[4'-(4-pyridyl)-2,2':6',2''-terpyridine]ytterbium(III) chloride methanol monosolvate monohydrate |
| Authors of publication | Okawara, Toru; Feng, Jiang; Abe, Masaaki; Hisaeda, Yoshio |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m29 - m30 |
| a | 9.7559 ± 0.0006 Å |
| b | 12.4035 ± 0.0007 Å |
| c | 16.5543 ± 0.001 Å |
| α | 98.87 ± 0.001° |
| β | 104.717 ± 0.001° |
| γ | 93.559 ± 0.001° |
| Cell volume | 1903.5 ± 0.2 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0463 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/32. |
2233249.cif 2233249.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233249.cif 2233249.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233249.cif 2233249.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233249.cif 2233249.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233249.cif 2233249.hkl |
| 32310 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233249 via cif-deposit CGI script. |
2233249.cif |
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Users of the data should acknowledge the original authors of the
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