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Information card for entry 7005248
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Coordinates | 7005248.cif |
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Original paper (by DOI) | HTML |
Chemical name | Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) 1.56:0.44 tetrafluoroborate: perchlorate salt |
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Formula | C22 H18 B1.56 Cl0.44 F6.24 Fe N10 O1.76 |
Calculated formula | C22 H18 B2 F8 Fe N10 |
Title of publication | Anion doping as a probe of cooperativity in the molecular spin-crossover compound [FeL2][BF4]2 (L = 2,6-di{pyrazol-1-yl}pyridine). |
Authors of publication | Carbonera, Chiara; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 13 |
Pages of publication | 1284 - 1292 |
a | 8.5441 ± 0.0006 Å |
b | 8.5611 ± 0.0006 Å |
c | 19.2084 ± 0.0013 Å |
α | 90° |
β | 95.582 ± 0.004° |
γ | 90° |
Cell volume | 1398.37 ± 0.17 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0832 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for significantly intense reflections | 0.1159 |
Weighted residual factors for all reflections included in the refinement | 0.1366 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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