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Information card for entry 4333336
Preview
| Coordinates | 4333336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H42 Mn4 N32 O6 Pt6 S24 |
|---|---|
| Calculated formula | C88 H42 Mn4 N32 O6 Pt6 S24 |
| SMILES | c1cccc2[n]1[Mn]13([O]4(C2)[Mn]256([n]7ccccc7C[O]5[Mn]57([n]8ccccc8C[O]25[Mn]254([n]4ccccc4C[O]12)[n]1ccccc1C[O]75)([N]#CC1=C(S[Pt]2(SC(=C(S2)C#N)C#N)S1)C#N)[N]#CC)[n]1ccccc1C[O]36)([N]#CC)[N]#CC1=C(S[Pt]2(SC(=C(S2)C#N)C#N)S1)C#N.N#CC1=C(C#N)S[Pt]2(S1)SC(=C(S2)C#N)C#N.S1C(=C(C#N)S[Pt]21SC(=C(C#N)S2)C#N)C#N.N#CC1=C(S[Pt]2(S1)SC(=C(S2)C#N)C#N)C#N.S1C(=C(C#N)S[Pt]21SC(=C(C#N)S2)C#N)C#N |
| Title of publication | Hybrid Molecular Material Exhibiting Single-Molecule Magnet Behavior and Molecular Conductivity |
| Authors of publication | Hiraga, Hiroki; Miyasaka, Hitoshi; Nakata, Kazuya; Kajiwara, Takashi; Takaishi, Shinya; Oshima, Yugo; Nojiri, Hiroyuki; Yamashita, Masahiro |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 23 |
| Pages of publication | 9661 - 9671 |
| a | 10.7098 ± 0.0009 Å |
| b | 13.175 ± 0.0011 Å |
| c | 21.1269 ± 0.0018 Å |
| α | 100.777 ± 0.002° |
| β | 103.169 ± 0.002° |
| γ | 104.008 ± 0.002° |
| Cell volume | 2722.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0858 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0604 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179436 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/33. |
4333336.cif |
| 98937 | 2014-01-30 | cif/ Adding structures of 4333336 via cif-deposit CGI script. |
4333336.cif |
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Users of the data should acknowledge the original authors of the
structural data.