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Information card for entry 7044031
Preview
| Coordinates | 7044031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H52 Br2 Fe2 N18 P |
|---|---|
| Calculated formula | C90 H52 Br2 Fe2 N18 P |
| Title of publication | A new strategy for inducing dipole moments in charge-transfer complexes: introduction of asymmetry into axially ligated iron phthalocyanines |
| Authors of publication | Matsuda, Masaki; Iwamura, Sayaka; Hamada, Yumi; Ohishi, Hiroko; Nishi, Miki; Nogami, Yoshio; Ikeda, Mitsuo; Kanda, Akinori; Funasako, Yusuke; Mochida, Tomoyuki; Nakao, Akiko; Hanasaki, Noriaki |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 21.595 ± 0.004 Å |
| b | 21.595 ± 0.004 Å |
| c | 7.5707 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3530.6 ± 1.1 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1489 |
| Weighted residual factors for all reflections included in the refinement | 0.1525 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199920 (current) | 2017-08-24 | cif/ Adding structures of 7044031, 7044032, 7044033 via cif-deposit CGI script. |
7044031.cif |
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Users of the data should acknowledge the original authors of the
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