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Information card for entry 7044986
Preview
| Coordinates | 7044986.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H106 Gd2 N4 O26 |
|---|---|
| Calculated formula | C98 H106 Gd2 N4 O26 |
| SMILES | O1C(=CC(=[O][Gd]23451([O]1c6c(C[OH]2)cc(cc6C[OH][Gd]2671(OC(=CC(=[O]2)c1c(OC)cccc1)c1c(cccc1)OC)([O]5c1c(C[OH]6)cc(cc1C[OH]4)C)[O]=C(c1c(OC)cccc1)C=C(O7)c1c(cccc1)OC)C)[O]=C(c1c(OC)cccc1)C=C(O3)c1c(OC)cccc1)c1c(cccc1)OC)c1ccccc1OC.C(=O)N(C)C.N(C=O)(C)C.C(=O)N(C)C.N(C=O)(C)C |
| Title of publication | Effect of coordination geometry on the magnetic properties of a series of Ln<sub>2</sub> and Ln<sub>4</sub> hydroxo clusters. |
| Authors of publication | Rasamsetty, Amaleswari; Das, Chinmoy; Sañudo, E Carolina; Shanmugam, Maheswaran; Baskar, Viswanathan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 5 |
| Pages of publication | 1726 - 1738 |
| a | 13.8683 ± 0.0006 Å |
| b | 13.9391 ± 0.0006 Å |
| c | 15.1576 ± 0.0006 Å |
| α | 64.652 ± 0.002° |
| β | 64.498 ± 0.002° |
| γ | 85.951 ± 0.002° |
| Cell volume | 2366.7 ± 0.18 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 | 0.0206 |
| Residual factor for significantly intense reflections | 0.0182 |
| Weighted residual factors for significantly intense reflections | 0.0448 |
| Weighted residual factors for all reflections included in the refinement | 0.0457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229460 (current) | 2019-11-17 | cif/ Updating files of 7044982, 7044983, 7044984, 7044985, 7044986, 7044987 Original log message: Adding full bibliography for 7044982--7044987.cif. |
7044986.cif |
| 204062 | 2017-12-08 | cif/ Adding structures of 7044982, 7044983, 7044984, 7044985, 7044986, 7044987 via cif-deposit CGI script. |
7044986.cif |
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Users of the data should acknowledge the original authors of the
structural data.