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Information card for entry 7048134
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Coordinates | 7048134.cif |
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Original paper (by DOI) | HTML |
Formula | C75 H64 B2 Fe N6 |
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Calculated formula | C75 H64 B2 Fe N6 |
Title of publication | Spin switching in tris(8-aminoquinoline)iron(ii)(BPh<sub>4</sub>)<sub>2</sub>: quantitative guest-losing dependent spin crossover properties and single-crystal-to-single-crystal transformation. |
Authors of publication | Yang, Feng-Lei; Chen, Xin; Wu, Wen-Hao; Zhang, Jing-Hang; Zhao, Xiang-Mei; Shi, Yan-Hui; Shen, Fei |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 48 |
Journal issue | 1 |
Pages of publication | 231 - 241 |
a | 12.3622 ± 0.0006 Å |
b | 34.072 ± 0.002 Å |
c | 19.1112 ± 0.0011 Å |
α | 90° |
β | 129.397 ± 0.004° |
γ | 90° |
Cell volume | 6220.6 ± 0.7 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1666 |
Residual factor for significantly intense reflections | 0.0992 |
Weighted residual factors for significantly intense reflections | 0.1475 |
Weighted residual factors for all reflections included in the refinement | 0.1698 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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