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Information card for entry 7006070
Preview
Coordinates | 7006070.cif |
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Original paper (by DOI) | HTML |
Common name | (Fe(4-Metpm)(dmtpm))(BF!4$)!2$.3/2(MeCN) |
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Formula | C32 H42.5 B2 F8 Fe N13.5 |
Calculated formula | C32 H42.5 B2 F8 Fe N13.5 |
Title of publication | Structure, magnetism and photomagnetism of mixed-ligand tris(pyrazolyl)methane iron(ii) spin crossover compounds. |
Authors of publication | Moubaraki, Boujemaa; Leita, Ben A.; Halder, Gregory J.; Batten, Stuart R.; Jensen, Paul; Smith, Jonathan P.; Cashion, John D.; Kepert, Cameron J.; Létard, Jean-François; Murray, Keith S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 39 |
Pages of publication | 4413 - 4426 |
a | 11.918 ± 0.002 Å |
b | 12.367 ± 0.002 Å |
c | 15.048 ± 0.003 Å |
α | 88.76 ± 0.003° |
β | 79.423 ± 0.003° |
γ | 63.765 ± 0.003° |
Cell volume | 1951.2 ± 0.6 Å3 |
Cell temperature | 96 ± 2 K |
Ambient diffraction temperature | 96 ± 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 | 0.0651 |
Residual factor for significantly intense reflections | 0.0556 |
Weighted residual factors for significantly intense reflections | 0.148 |
Weighted residual factors for all reflections included in the refinement | 0.1592 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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