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Information card for entry 7707940
Preview
Coordinates | 7707940.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H20 B2 F8 Fe N12 O2 |
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Calculated formula | C24 H20 B2 F8 Fe N12 O2 |
Title of publication | Exceptionally high temperature spin crossover in amide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complex revealed by variable temperature Raman spectroscopy and single crystal X-ray diffraction. |
Authors of publication | Attwood, Max; Akutsu, Hiroki; Martin, Lee; Blundell, Toby J.; Le Maguere, Pierre; Turner, Scott S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 34 |
Pages of publication | 11843 - 11851 |
a | 9.3506 ± 0.0006 Å |
b | 33.3034 ± 0.001 Å |
c | 10.8189 ± 0.0008 Å |
α | 90° |
β | 107.46 ± 0.007° |
γ | 90° |
Cell volume | 3213.9 ± 0.4 Å3 |
Cell temperature | 499.99 ± 0.1 K |
Ambient diffraction temperature | 499.99 ± 0.1 K |
Number of distinct elements | 7 |
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 | 0.0858 |
Residual factor for significantly intense reflections | 0.0575 |
Weighted residual factors for significantly intense reflections | 0.1712 |
Weighted residual factors for all reflections included in the refinement | 0.1988 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
268804 (current) | 2021-09-06 | cif/ Updating files of 7707940, 7707941, 7707942, 7707943 Original log message: Adding full bibliography for 7707940--7707943.cif. |
7707940.cif |
267905 | 2021-08-03 | cif/ Adding structures of 7707940, 7707941, 7707942, 7707943 via cif-deposit CGI script. |
7707940.cif |
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Users of the data should acknowledge the original authors of the
structural data.