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Information card for entry 7110625
Preview
| Coordinates | 7110625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Dodecakis(N,N-diisopropylcarbamato)tetraholmium(iii) |
|---|---|
| Formula | C98 H200 Ho4 N12 O24 |
| Calculated formula | C98 H168 Ho4 N12 O24 |
| SMILES | N(C1[O]2[Ho]3456([O]=C(N(C(C)C)C(C)C)O5)[O]5C(N(C(C)C)C(C)C)=[O][Ho]789([O]=C(N(C(C)C)C(C)C)O9)([O](C(N(C(C)C)C(C)C)=[O]6)[Ho]69([O]=C(N(C(C)C)C(C)C)O9)([O]=1)([O]7C(N(C(C)C)C(C)C)=[O][Ho]125([O]=C(N(C(C)C)C(C)C)O1)([O]=C(N(C(C)C)C(C)C)O3)[O]=C(N(C(C)C)C(C)C)O6)[O]=C(N(C(C)C)C(C)C)O8)[O]=C(O4)N(C(C)C)C(C)C)(C(C)C)C(C)C.C(CC)CCCC.CCCCCCC |
| Title of publication | Isotypical N,N-dialkylcarbamato lanthanide complexes covering a range of 11 atomic numbers: direct experimental assessment of the lanthanide contraction in trivalent molecular compounds |
| Authors of publication | Abram, Ulrich; Dell’Amico, Daniela Belli; Calderazzo, Fausto; Porta, Cinzia Della; Merigo, Alessandra; Englert, Ulli; Marchetti, Fabio |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 20 |
| Pages of publication | 2053 |
| a | 29.13 ± 0.002 Å |
| b | 19.844 ± 0.002 Å |
| c | 23.131 ± 0.001 Å |
| α | 90° |
| β | 107.24 ± 0.01° |
| γ | 90° |
| Cell volume | 12770.3 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.064 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.1102 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180220 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/06. |
7110625.cif |
| 95533 | 2014-01-28 | cif/ Adding structures of 7110623, 7110624, 7110625 via cif-deposit CGI script. |
7110625.cif |
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Users of the data should acknowledge the original authors of the
structural data.