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Information card for entry 7006069
Preview
Coordinates | 7006069.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 | 11.939 ± 0.009 Å |
b | 12.345 ± 0.01 Å |
c | 15.054 ± 0.012 Å |
α | 88.73 ± 0.012° |
β | 80.016 ± 0.012° |
γ | 63.535 ± 0.011° |
Cell volume | 1952 ± 3 Å3 |
Cell temperature | 25 ± 2 K |
Ambient diffraction temperature | 25 ± 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 | 0.0511 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1141 |
Weighted residual factors for all reflections included in the refinement | 0.1204 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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