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Information card for entry 7701947
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Coordinates | 7701947.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H54 Fe N8 O2 S2 |
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Calculated formula | C42 H54 Fe N8 O2 S2 |
Title of publication | Hysteretic thermal spin-crossover in heteroleptic Fe(ii) complexes using alkyl chain substituted 2,2′-dipyridylamine ligands |
Authors of publication | Geoghegan, Blaise L.; Phonsri, Wasinee; Horton, Peter N.; Orton, James B.; Coles, Simon J.; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A. |
Journal of publication | Dalton Transactions |
Year of publication | 2019 |
a | 15.9129 ± 0.0009 Å |
b | 8.2544 ± 0.0003 Å |
c | 17.5843 ± 0.0009 Å |
α | 90° |
β | 114.966 ± 0.007° |
γ | 90° |
Cell volume | 2093.9 ± 0.2 Å3 |
Cell temperature | 105 K |
Ambient diffraction temperature | 105 K |
Number of distinct elements | 6 |
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 | 0.0434 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for significantly intense reflections | 0.0805 |
Weighted residual factors for all reflections included in the refinement | 0.0843 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7701947.html
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