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Information card for entry 4316042
Preview
| Coordinates | 4316042.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H43 Dy N12 O27 |
|---|---|
| Calculated formula | C8 H24 Dy N12 O25 |
| SMILES | C1(O[Dy]234(O1)([OH2])(OC(=O)O2)(OC(O3)=O)OC(=O)O4)=O.C(=[NH2+])(N)N.O.O.O.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O.O.O.O.O.O.O.O |
| Title of publication | Synthesis and Structural Characterization of Molecular Dy(III) and Er(III) Tetra-Carbonates |
| Authors of publication | George S. Goff; Michael R. Cisneros; Chandra Kluk; Kevin Williamson; Brian Scott; Sean Reilly; Wolfgang Runde |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 6558 - 6564 |
| a | 15.3199 ± 0.0011 Å |
| b | 15.3199 ± 0.0011 Å |
| c | 7.5129 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1763.3 ± 0.3 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 85 |
| Hermann-Mauguin space group symbol | P 4/n :2 |
| Hall space group symbol | -P 4a |
| Residual factor for all reflections | 0.082 |
| Residual factor for significantly intense reflections | 0.0809 |
| Weighted residual factors for significantly intense reflections | 0.2644 |
| Weighted residual factors for all reflections included in the refinement | 0.2652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.661 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179240 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/60. |
4316042.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316042.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316042.cif |
| 9217 | 2011-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4316042 via cif-deposit CGI script. |
4316042.cif |
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Users of the data should acknowledge the original authors of the
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