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Information card for entry 7041264
Preview
| Coordinates | 7041264.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | FeTMP4MePYNO2BF4 |
|---|---|
| Formula | C68 H66 B F4 Fe N6 O2 |
| Calculated formula | C68 H66 B F4 Fe N6 O2 |
| Title of publication | Spin-crossover between high-spin (S = 5/2) and low-spin (S = 1/2) states in six-coordinate iron(iii) porphyrin complexes having two pyridine-N oxide derivatives. |
| Authors of publication | Ide, Yuki; Murai, Nami; Ishimae, Hiroki; Suzuki, Masaaki; Mori, Shigeki; Takahashi, Masashi; Nakamura, Mikio; Yoshino, Katsumi; Ikeue, Takahisa |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 46 |
| Journal issue | 1 |
| Pages of publication | 242 - 249 |
| a | 25.48 ± 0.006 Å |
| b | 14.606 ± 0.003 Å |
| c | 17.569 ± 0.004 Å |
| α | 90° |
| β | 114.161 ± 0.003° |
| γ | 90° |
| Cell volume | 5966 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1067 |
| Residual factor for significantly intense reflections | 0.0985 |
| Weighted residual factors for significantly intense reflections | 0.1941 |
| Weighted residual factors for all reflections included in the refinement | 0.1986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.285 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7041264.cif |
| 191685 | 2017-02-04 | cif/ Updating files of 7041264, 7041265, 7041266, 7041267, 7041268 Original log message: Adding full bibliography for 7041264--7041268.cif. |
7041264.cif |
| 188735 | 2016-11-29 | cif/ Adding structures of 7041264, 7041265, 7041266, 7041267, 7041268 via cif-deposit CGI script. |
7041264.cif |
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Users of the data should acknowledge the original authors of the
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