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Information card for entry 7038944
Preview
| Coordinates | 7038944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C96 H74 Ho2 N4 O12 |
|---|---|
| Calculated formula | C96 H74 Ho2 N4 O12 |
| SMILES | c12[n]3[Ho]456([N](=C1)c1ccc(OCC)cc1)(OC(=CC(=[O]4)c1ccccc1)c1ccccc1)([O](c1c3c(ccc1)cc2)[Ho]1234([n]7c8c(cccc8ccc7C=[N]1c1ccc(OCC)cc1)[O]52)(OC(=CC(=[O]3)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)C=C(O4)c1ccccc1)[O]=C(c1ccccc1)C=C(O6)c1ccccc1 |
| Title of publication | Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior. |
| Authors of publication | Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 19 |
| Pages of publication | 8182 - 8191 |
| a | 11.4279 ± 0.0013 Å |
| b | 17.0871 ± 0.0017 Å |
| c | 20.256 ± 0.002 Å |
| α | 90° |
| β | 100.838 ± 0.003° |
| γ | 90° |
| Cell volume | 3884.8 ± 0.7 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0255 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0545 |
| Weighted residual factors for all reflections included in the refinement | 0.0557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7038944.cif |
| 185540 | 2016-08-07 | cif/ Updating files of 7038938, 7038939, 7038940, 7038941, 7038942, 7038943, 7038944, 7038945, 7038946 Original log message: Adding full bibliography for 7038938--7038946.cif. |
7038944.cif |
| 181502 | 2016-04-05 | cif/ Adding structures of 7038938, 7038939, 7038940, 7038941, 7038942, 7038943, 7038944, 7038945, 7038946 via cif-deposit CGI script. |
7038944.cif |
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Users of the data should acknowledge the original authors of the
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