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Information card for entry 4308440
Preview
| Coordinates | 4308440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36.75 H54.5 B Cl0.5 F5 N6 Ni S |
|---|---|
| Calculated formula | C36.75 B Cl0.5 F5 N6 Ni S |
| Title of publication | Structural and Spectroscopic Characterization of First-Row Transition Metal(II) Substituted Blue Copper Model Complexes with Hydrotris(pyrazolyl)borate+ |
| Authors of publication | Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Miyashita, Yoshitaro; Okamoto, Ken-ichi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 325 - 335 |
| a | 9.417 ± 0.002 Å |
| b | 17.684 ± 0.005 Å |
| c | 27.748 ± 0.008 Å |
| α | 79.623 ± 0.008° |
| β | 80.841 ± 0.009° |
| γ | 68.873 ± 0.007° |
| Cell volume | 4217.4 ± 1.9 Å3 |
| Cell temperature | 184.1 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.553 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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