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Information card for entry 4337970
Preview
| Coordinates | 4337970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H63 N21 O29 Tb4 |
|---|---|
| Calculated formula | C60 H63 N21 O29 Tb4 |
| SMILES | [Tb]1234567([O]8[Tb]9%10%11%12%13([O](c%14cccc(C=[N]7Nc7[n]6cccc7)c8%14)C)([O]([Tb]678%14([O]%15[Tb]%16%17%18([O](c%19cccc(C=[N]%14Nc%14[n]8cccc%14)c%15%19)C)([O]1c1c(C=[N]%18Nc8[n]%17cccc8)cccc1OC)([O]36)ON(=[O]%16)=O)([O]29)([O]4%10)ON(=[O]7)=O)c1c(C=[N]%13Nc2[n]%12cccc2)cccc1OC)ON(=O)=[O]%11)ON(=[O]5)=O.O=N(=O)[O-].O.O.N#CC.N#CC.N#CC.CC#N.O |
| 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 | 13.966 ± 0.005 Å |
| b | 15.284 ± 0.005 Å |
| c | 19.802 ± 0.005 Å |
| α | 95.728 ± 0.005° |
| β | 95.302 ± 0.005° |
| γ | 111.289 ± 0.005° |
| Cell volume | 3881 ± 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 | 0.0874 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1375 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
4337970.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'). |
4337970.cif |
| 109932 | 2014-04-17 | cif/ Updating files of 4337969, 4337970, 4337971, 4337972 Original log message: Adding full bibliography for 4337969--4337972.cif. |
4337970.cif |
| 108510 | 2014-04-02 | cif/ Adding structures of 4337969, 4337970, 4337971, 4337972 via cif-deposit CGI script. |
4337970.cif |
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Users of the data should acknowledge the original authors of the
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