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Information card for entry 2232094
Preview
| Coordinates | 2232094.cif |
|---|---|
| Structure factors | 2232094.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(μ~2~-2-phenoxypropionato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')ytterbium(III)] |
|---|---|
| Formula | C78 H70 N4 O18 Yb2 |
| Calculated formula | C78 H70 N4 O18 Yb2 |
| SMILES | C1([C@@H](C)Oc2ccccc2)=[O][Yb]234([n]5cccc6c5c5[n]2cccc5cc6)(O1)([O]=C(O3)[C@@H](Oc1ccccc1)C)[O]=C(O[Yb]123([O]=C([C@H](C)Oc5ccccc5)O2)([n]2cccc5ccc6ccc[n]1c6c25)([O]=C(O3)[C@H](Oc1ccccc1)C)[O]=C(O4)[C@H](Oc1ccccc1)C)[C@@H](Oc1ccccc1)C |
| Title of publication | Bis(μ~2~-2-phenoxypropionato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')ytterbium(III)] |
| Authors of publication | Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1361 |
| a | 11.3577 ± 0.0004 Å |
| b | 12.2091 ± 0.0005 Å |
| c | 14.1438 ± 0.0006 Å |
| α | 99.111 ± 0.002° |
| β | 91.089 ± 0.002° |
| γ | 114.32 ± 0.002° |
| Cell volume | 1756.94 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0414 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2232094.cif 2232094.hkl |
| 181242 | 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 2/23/20. |
2232094.cif 2232094.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. |
2232094.cif 2232094.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2232094.cif 2232094.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232094.cif 2232094.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. | 2232094.cif 2232094.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232094.cif 2232094.hkl |
| 29388 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232094 via cif-deposit CGI script. |
2232094.cif |
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