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Information card for entry 7060833
Preview
Coordinates | 7060833.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H20 Fe N14 S2 |
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Calculated formula | C26 H20 Fe N14 S2 |
Title of publication | Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D |
Authors of publication | Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 31 |
Pages of publication | 14014 - 14023 |
a | 11.3795 ± 0.0005 Å |
b | 9.4118 ± 0.0007 Å |
c | 12.4288 ± 0.0007 Å |
α | 90° |
β | 100.972 ± 0.003° |
γ | 90° |
Cell volume | 1306.81 ± 0.14 Å3 |
Cell temperature | 296.15 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0632 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0946 |
Weighted residual factors for all reflections included in the refinement | 0.1107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.56086 Å |
Diffraction radiation type | AgKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7060833.html
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