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Information card for entry 7042933
Preview
Coordinates | 7042933.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C134 H168 Fe9 N72 O14 Re6 |
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Calculated formula | C134 H168 Fe9 N72 O14 Re6 |
Title of publication | Modulation of FeII spin crossover effect in the pentadecanuclear {Fe9[M(CN)8]6} (M = Re, W) clusters by facial coordination of tridentate polyamine ligand |
Authors of publication | Chorazy, Szymon; Jan Stanek, Jan; Kobylarczyk, Jedrzej; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 17.5772 ± 0.0009 Å |
b | 17.6464 ± 0.0008 Å |
c | 28.8773 ± 0.0013 Å |
α | 86.341 ± 0.006° |
β | 83.48 ± 0.006° |
γ | 86.361 ± 0.006° |
Cell volume | 8866.6 ± 0.7 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 | 0.2841 |
Residual factor for significantly intense reflections | 0.207 |
Weighted residual factors for significantly intense reflections | 0.3348 |
Weighted residual factors for all reflections included in the refinement | 0.3702 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.27 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71075 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/7042933.html
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