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Information card for entry 4334303
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4334303.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H16 Fe N8 |
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Calculated formula | C32 H16 Fe N8 |
SMILES | [Fe]123[n]4c5c6c(c4=Nc4c7c(c(n24)N=c2c4c(c([n]32)N=c2c3c(c(=N5)n12)cccc3)cccc4)cccc7)cccc6 |
Title of publication | Synthesis, Structural and Magnetic Properties of Ternary Complexes of (Me4P+).{[Fe(I)Pc(-2)]-}.Triptycene and (Me4P+).{[Fe(I)Pc(-2)]-}.(N,N,N',N'-Tetrabenzyl-p-phenylenediamine)0.5 with Iron(I) Phthalocyanine Anions |
Authors of publication | Dmitri V. Konarev; Manabu Ishikawa; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 3851 - 3859 |
a | 14.5276 ± 0.0015 Å |
b | 4.781 ± 0.0005 Å |
c | 19.185 ± 0.002 Å |
α | 90° |
β | 120.77 ± 0.001° |
γ | 90° |
Cell volume | 1144.9 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0505 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0938 |
Weighted residual factors for all reflections included in the refinement | 0.1111 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4334303.html
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Users of the data should acknowledge the original authors of the
structural data.