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Information card for entry 7203951
Preview
| Coordinates | 7203951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H52 Fe2 N20 P |
|---|---|
| Calculated formula | C92 H52 Fe2 N20 P |
| SMILES | [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Fe]123([n]4c5=Nc6n3c(N=c3c7c(c([n]13)N=c1n2c(=Nc4c2c5cccc2)c2ccccc12)cccc7)c1ccccc61)(C#N)C#N.c12=Nc3n4c(N=c5c6c(c7[n]5[Fe]54([n]2c(c2c1cccc2)N=c1n5c(=N7)c2c1cccc2)(C#N)C#N)cccc6)c1ccccc31 |
| Title of publication | A one-dimensional macrocyclic π‐ligand conductor carrying a magnetic center. Structure and electrical, optical and magnetic properties of TPP[Fe(Pc)(CN)2]2 {TPP = tetraphenylphosphonium and [Fe(Pc)(CN)2] = dicyano(phthalocyaninato)iron(iii)} |
| Authors of publication | Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki; Otsuka, Takeo; Awaga, Kunio; Narymbetov, Bakhyt; Kobayashi, Hayao |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2000 |
| Journal volume | 10 |
| Journal issue | 3 |
| Pages of publication | 631 |
| a | 21.722 ± 0.002 Å |
| b | 21.722 ± 0.002 Å |
| c | 7.448 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3514.3 ± 1 Å3 |
| Cell temperature | 291.2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0358 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0385 |
| Weighted residual factors for all reflections included in the refinement | 0.0385 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.45 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7203951.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203951.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203951.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7203951.cif |
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