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Information card for entry 2018226
Preview
| Coordinates | 2018226.cif |
|---|---|
| Structure factors | 2018226.hkl |
| Original IUCr paper | HTML |
| Chemical name | (aqua-1κ<i>O</i>)tetrakis(μ-2,3-diphenylprop-2-enoato- 1:2κ^2^<i>O</i>:<i>O</i>')bis(2,3-diphenylprop-2-enoato)- 1κ<i>O</i>;2κ<i>O</i>-(ethanol-2κ<i>O</i>)bis(1,10-phenanthroline)- 1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-dilanthanum(III) |
|---|---|
| Formula | C116 H90 La2 N4 O14 |
| Calculated formula | C116 H87 La2 N4 O14 |
| SMILES | [La]1234(OC(=O)/C(=C/c5ccccc5)c5ccccc5)([O]=C(/C(=C/c5ccccc5)c5ccccc5)O[La]5([O]=C(O1)C(=C\c1ccccc1)\c1ccccc1)(OC(=[O]2)/C(=C/c1ccccc1)c1ccccc1)([O]=C(/C(=C/c1ccccc1)c1ccccc1)O3)(OC(=O)C(=C\c1ccccc1)\c1ccccc1)([OH2])[n]1cccc2ccc3ccc[n]5c3c12)([OH]CC)[n]1cccc2ccc3ccc[n]4c3c12 |
| Title of publication | A photochromic dinuclear compound: aquatetrakis(μ-2,3-diphenylprop-2-enoato)bis(2,3-diphenylprop-2-enoato)ethanolbis(1,10-phenanthroline)dilanthanum(III) |
| Authors of publication | Yang, Yunyun; Chai, Wenxiang; Song, Li; Lin, Jian |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m293 - m296 |
| a | 13.464 ± 0.003 Å |
| b | 18.572 ± 0.004 Å |
| c | 20.49 ± 0.004 Å |
| α | 77.42 ± 0.03° |
| β | 89.01 ± 0.03° |
| γ | 77.94 ± 0.03° |
| Cell volume | 4888 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1064 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1315 |
| Weighted residual factors for all reflections included in the refinement | 0.1694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180851 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/82. |
2018226.cif 2018226.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018226.cif 2018226.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018226.cif 2018226.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. | 2018226.cif 2018226.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2018226.cif 2018226.hkl |
| 27823 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2018226 via cif-deposit CGI script. |
2018226.cif |
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