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Information card for entry 7234440
Preview
Coordinates | 7234440.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [Fe(PM-PeA)2(NCSe)2]-polymorph-II |
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Formula | C42 H28 Fe N6 Se2 |
Calculated formula | C42 H28 Fe N6 Se2 |
Title of publication | Using polymorphism to master the spin crossover mechanism in [Fe(PM-PeA)2(NCSe)2] |
Authors of publication | Tailleur, Elodie; Marchivie, Mathieu; Negrier, Philippe; Denux, Dominique; Massip, Stéphane; Mondieig, Denise; Chastanet, Guillaume; Guionneau, Philippe |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 41 |
Pages of publication | 6246 |
a | 16.9943 ± 0.0007 Å |
b | 14.9296 ± 0.0005 Å |
c | 17.2155 ± 0.0006 Å |
α | 90° |
β | 117.37 ± 0.005° |
γ | 90° |
Cell volume | 3878.9 ± 0.3 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0737 |
Residual factor for significantly intense reflections | 0.0561 |
Weighted residual factors for significantly intense reflections | 0.1645 |
Weighted residual factors for all reflections included in the refinement | 0.1775 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7234440.html
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