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Information card for entry 7715836
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Coordinates | 7715836.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate] |
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Formula | C32 H40 Fe2 N24 Nb O4 |
Calculated formula | C32 H40 Fe2 N24 Nb O4 |
Title of publication | Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light. |
Authors of publication | Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2024 |
a | 21.418 ± 0.0003 Å |
b | 21.418 ± 0.0003 Å |
c | 9.4229 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4322.6 ± 0.4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Ambient diffracton pressure | 510000 kPa |
Number of distinct elements | 6 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.0886 |
Weighted residual factors for all reflections included in the refinement | 0.0917 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.41008 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7715836.html
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