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Information card for entry 4309950
Preview
| Coordinates | 4309950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H16 Cu La N5 O13 |
|---|---|
| Calculated formula | C12 H16 Cu La N5 O13 |
| SMILES | [La]1234([O](Cc5[n]6cccc5)[Cu]56[O]1Cc1[n]5cccc1)(ON(=[O]3)=O)(ON(=[O]4)=O)(ON(=[O]2)=O)([OH2])[OH2] |
| Title of publication | Synthesis, Structures, and Magnetic Properties of Heteronuclear Cu(II)-Ln(III) (Ln = La, Gd, or Tb) Complexes |
| Authors of publication | Feng He; Ming-Liang Tong; Xiao-Ming Chen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 8285 - 8292 |
| a | 7.5307 ± 0.0006 Å |
| b | 19.9609 ± 0.0015 Å |
| c | 14.016 ± 0.001 Å |
| α | 90° |
| β | 105.459 ± 0.001° |
| γ | 90° |
| Cell volume | 2030.7 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.0707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4309950.cif |
| 179137 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/99. |
4309950.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309950.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309950.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309950.cif |
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