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Information card for entry 2227903
Preview
| Coordinates | 2227903.cif |
|---|---|
| Structure factors | 2227903.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Tetrakis(μ-3,4-dimethoxyphenylacetato)bis[(3,4-dimethoxyphenylacetato)(1,10- phenanthroline)holmium(III)] |
|---|---|
| Formula | C84 H82 Ho2 N4 O24 |
| Calculated formula | C84 H82 Ho2 N4 O24 |
| SMILES | [Ho]123456([n]7cccc8c7c7[n]1cccc7cc8)([O]=C(Cc1cc(c(cc1)OC)OC)O3)[O]=C([O]2[Ho]123([n]7cccc8ccc9ccc[n]1c9c78)([O]=C(Cc1cc(c(cc1)OC)OC)O2)([O]=C([O]43)Cc1cc(OC)c(OC)cc1)([O]=C(Cc1ccc(OC)c(c1)OC)O6)OC(Cc1ccc(OC)c(c1)OC)=[O]5)Cc1cc(OC)c(OC)cc1 |
| Title of publication | Tetrakis(μ-3,4-dimethoxyphenylacetato)bis[(3,4-dimethoxyphenylacetato)(1,10-phenanthroline)holmium(III)] |
| Authors of publication | Zhao, Guo-Liang; Liu, Jia-Lu; Liu, Jian-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1272 - m1273 |
| a | 12.3069 ± 0.0002 Å |
| b | 12.3789 ± 0.0002 Å |
| c | 14.6591 ± 0.0002 Å |
| α | 91.02 ± 0.001° |
| β | 103.547 ± 0.001° |
| γ | 115.477 ± 0.001° |
| Cell volume | 1942.03 ± 0.06 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 | 0.0459 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2227903.cif 2227903.hkl |
| 181200 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/79. |
2227903.cif 2227903.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227903.cif 2227903.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227903.cif 2227903.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. | 2227903.cif 2227903.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227903.cif 2227903.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227903.cif 2227903.hkl |
| 4940 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227903 via cif-deposit CGI script. |
2227903.cif |
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Users of the data should acknowledge the original authors of the
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