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Information card for entry 7234346
Preview
Coordinates | 7234346.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H22 Fe N6 Ni2 S24 |
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Calculated formula | C38 H22 Fe N6 Ni2 S24 |
Title of publication | Novel Fe(ii) spin crossover complexes involving a chalcogen-bond and pi-stacking interactions with a paramagnetic and nonmagnetic M(dmit)2 anion (M = Ni, Au; dmit = 4,5-dithiolato-1,3-dithiole-2-thione) |
Authors of publication | Mitsunobu Okai; Kazuyuki Takahashi; Takahiro Sakurai; Hitoshi Ohta; Takashi Yamamoto; Yasuaki Einaga |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2015 |
Journal volume | 3 |
Pages of publication | 7858 - 7864 |
a | 24.117 ± 0.005 Å |
b | 13.501 ± 0.003 Å |
c | 35.467 ± 0.007 Å |
α | 90° |
β | 97.911 ± 0.003° |
γ | 90° |
Cell volume | 11438 ± 4 Å3 |
Cell temperature | 400 ± 2 K |
Ambient diffraction temperature | 400 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1877 |
Residual factor for significantly intense reflections | 0.0783 |
Weighted residual factors for significantly intense reflections | 0.144 |
Weighted residual factors for all reflections included in the refinement | 0.1838 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7234346.html
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