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Information card for entry 4334507
Preview
| Coordinates | 4334507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H192 N16 O48 Tb8 |
|---|---|
| Calculated formula | C112 H192 N16 O48 Tb8 |
| SMILES | CC1C2=N[N]3=Cc4cc(C)cc5c4[O]4[Tb]67893([O]2[Tb]23%10%11%12([N]=1O)[N](CC[O]62)(CC[OH]3)Cc1cc(cc2C=[N]3N=C6C(C)=[N](O)[Tb]%13%14%15%16%17%18[O]%19c%20c(C=[N]%21N=C%22C(C)=[N](O)[Tb]%23%24%25%26%27%28[N](Cc%29cc(cc%30C=[N]%31N=C%32C(C)=[N](O)[Tb]%33%34%354([O]7C)([O]=C(O9)C(C)(C)C)[N](C5)(CC[O]%34[Tb]4%31([O]%32%33)([O]%26c%29%30)([O]%27C)([O]=C(O4)C(C)(C)C)[O]=C(C(C)(C)C)O%28)CC[OH]%35)C)(CC[O]%24[Tb]4%19%21([O]%22%23)([O]%13C)([O]=C(O4)C(C)(C)C)[O]=C(C(C)(C)C)O%15)CC[OH]%25)cc(C)cc%20C[N]%14(CC[O]%17[Tb]43([O]6%16)([O]%10c12)([O]%11C)([O]=C(O4)C(C)(C)C)[O]=C(C(C)(C)C)O%12)CC[OH]%18)C)[O]=C(O8)C(C)(C)C.CO.O.CO.O.CO.CO.O.O |
| Title of publication | Octanuclear {Ln(III)8} (Ln = Gd, Tb, Dy, Ho) Macrocyclic Complexes in a Cyclooctadiene-like Conformation: Manifestation of Slow Relaxation of Magnetization in the Dy(III) Derivative |
| Authors of publication | Vadapalli Chandrasekhar; Prasenjit Bag; Enrique Colacio |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 4562 - 4570 |
| a | 18.261 ± 0.003 Å |
| b | 18.261 ± 0.003 Å |
| c | 44.911 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14976 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0585 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1333 |
| 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 |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4334507.cif |
| 100335 | 2014-02-04 | cif/ Adding structures of 4334507 via cif-deposit CGI script. |
4334507.cif |
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Users of the data should acknowledge the original authors of the
structural data.