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Information card for entry 4305037
Preview
| Coordinates | 4305037.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tm3N@C80(Ih isomer).Ni(OEP).2benzene |
|---|---|
| Formula | C128 H56 N5 Ni Tm3 |
| Calculated formula | C128 H56 N5 Ni Tm3 |
| Title of publication | Preparation and Structural Characterization of the Ih and the D5h Isomers of the Endohedral Fullerenes Tm3N@C80: Icosahedral C80 Cage Encapsulation of a Trimetallic Nitride Magnetic Cluster with Three Uncoupled Tm3+ Ions |
| Authors of publication | Tianming Zuo; Marilyn M. Olmstead; Christine M. Beavers; Alan L. Balch; Guangbin Wang; Gordon T. Yee; Chunying Shu; Liaosa Xu; Bevan Elliott; Luis Echegoyen; James C. Duchamp; Harry C. Dorn |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 5234 - 5244 |
| a | 44.8763 ± 0.0016 Å |
| b | 15.051 ± 0.0005 Å |
| c | 25.3167 ± 0.0009 Å |
| α | 90° |
| β | 118.993 ± 0.004° |
| γ | 90° |
| Cell volume | 14956.8 ± 1.1 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0954 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1433 |
| Weighted residual factors for all reflections included in the refinement | 0.1561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179088 (current) | 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 4/30/50. |
4305037.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305037.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305037.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4305037.cif |
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Users of the data should acknowledge the original authors of the
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