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Information card for entry 4337969
Preview
| Coordinates | 4337969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H67 Gd4 N21 O29 |
|---|---|
| Calculated formula | C61 H67 Gd4 N21 O29 |
| SMILES | [Gd]1234567([O]8[Gd]9%10%11%12%13([O]([Gd]%14%15%16%17%18([O]%19[Gd]%20%21%22([O](C)c%23cccc(c%19%23)C=[N]%17Nc%17[n]%18cccc%17)([O]1c1c(OC)cccc1C=[N]%21Nc1[n]%22cccc1)([O]2%14)([O]4%10%15)ON(=O)=[O]%20)([O]39)[O]=N(=O)O%16)c1c(OC)cccc1C=[N]%12Nc1[n]%13cccc1)([O](C)c1cccc(c81)C=[N]6Nc1[n]7cccc1)ON(=[O]%11)=O)ON(=[O]5)=O.O=N(=O)[O-].OC.O.O.N#CC.N#CC.N#CC.N#CC |
| Title of publication | Tetranuclear Lanthanide(III) Complexes in a Seesaw Geometry: Synthesis, Structure, and Magnetism. |
| Authors of publication | Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 3385 |
| a | 13.972 ± 0.005 Å |
| b | 15.262 ± 0.005 Å |
| c | 20.028 ± 0.005 Å |
| α | 95.272 ± 0.005° |
| β | 95.905 ± 0.005° |
| γ | 111.219 ± 0.005° |
| Cell volume | 3922 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0438 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179482 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/79. |
4337969.cif |
| 110325 | 2014-04-18 | cod/cif/ (saulius@koala.ibt.lt) Appending periods (".") to author initials in the recently added bibliographies (using 'cif_reformat_pubmed_author_names'). |
4337969.cif |
| 109932 | 2014-04-17 | cif/ Updating files of 4337969, 4337970, 4337971, 4337972 Original log message: Adding full bibliography for 4337969--4337972.cif. |
4337969.cif |
| 108510 | 2014-04-02 | cif/ Adding structures of 4337969, 4337970, 4337971, 4337972 via cif-deposit CGI script. |
4337969.cif |
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Users of the data should acknowledge the original authors of the
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