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Information card for entry 1551535
Preview
| Coordinates | 1551535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (C32H40N6)Fe2(OH)2(BPh4)2(Me2CO)1.2(Et2O)0.5 |
|---|---|
| Formula | C85.6 H94.2 B2 Fe2 N6 O3.7 |
| Calculated formula | C85.6 H94.2 B2 Fe2 N6 O3.7 |
| Title of publication | Crystal Structure of Bis(μ-hydroxo)diiron(II) Complex with a Dinucleating Ligand Having a Butyl Linker |
| Authors of publication | SEKINO, Mio; FURUTACHI, Hideki; TASAKI, Kyosuke; ISHIKAWA, Takanao; FUJINAMI, Shuhei; AKINE, Shigehisa; SAKATA, Yoko; SUZUKI, Masatatsu; NOMURA, Takashi; OGURA, Takashi; KITAGAWA, Teizo |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2019 |
| Journal volume | 35 |
| Journal issue | 0 |
| Pages of publication | 5 |
| a | 21.678 ± 0.003 Å |
| b | 16.3791 ± 0.0016 Å |
| c | 22.447 ± 0.003 Å |
| α | 90° |
| β | 111.522 ± 0.002° |
| γ | 90° |
| Cell volume | 7414.5 ± 1.6 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0546 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216145 (current) | 2019-06-20 | cif/ Adding structures of 1551535 via cif-deposit CGI script. |
1551535.cif |
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Users of the data should acknowledge the original authors of the
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