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Information card for entry 7036817
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Coordinates | 7036817.cif |
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Original paper (by DOI) | HTML |
Chemical name | catena-[bis(μ~2~-1,6-di(tetrazol-2-yl)hexane)-bis(propionitrile)] -iron(II) diperchlorate |
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Formula | C22 H38 Cl2 Fe N18 O8 |
Calculated formula | C22 H38 Cl2 Fe N18 O8 |
Title of publication | Influence of conformational changes on spin crossover properties and superstructure formation in 2D coordination polymers [Fe(hbtz)2(RCN)2](ClO4)2. |
Authors of publication | Książek, Maria; Kusz, Joachim; Białońska, Agata; Bronisz, Robert; Weselski, Marek |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 42 |
Pages of publication | 18563 - 18575 |
a | 9.341 ± 0.003 Å |
b | 9.555 ± 0.002 Å |
c | 11.409 ± 0.004 Å |
α | 90.68 ± 0.03° |
β | 68.74 ± 0.04° |
γ | 66.37 ± 0.03° |
Cell volume | 854.6 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0382 |
Residual factor for significantly intense reflections | 0.0298 |
Weighted residual factors for significantly intense reflections | 0.078 |
Weighted residual factors for all reflections included in the refinement | 0.0804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7036817.html
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Users of the data should acknowledge the original authors of the
structural data.