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Information card for entry 7017323
Preview
Coordinates | 7017323.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H39 As Cl F6 Fe N9 |
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Calculated formula | C24 H39 As Cl F6 Fe N9 |
SMILES | [As](F)(F)(F)([F-])(F)F.[Fe]123([n]4c([nH]cc4C=[N]1CCC)C)([n]1c([nH]cc1C=[N]2CCC)C)[n]1c([nH]cc1C=[N]3CCC)C.[Cl-] |
Title of publication | 1D and 2D assembly structures by imidazolechloride hydrogen bonds of iron(ii) complexes [Fe(II)(HL(n-Pr))(3)]Cl·Y (HL(n-Pr) = 2-methylimidazol-4-yl-methylideneamino-n-propyl; Y = AsF(6), BF(4)) and their spin states. |
Authors of publication | Fujinami, Takeshi; Nishi, Koshiro; Matsumoto, Naohide; Iijima, Seiichiro; Halcrow, Malcolm A.; Sunatsuki, Yukinari; Kojima, Masaaki |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 45 |
Pages of publication | 12301 - 12309 |
a | 10.57 ± 0.007 Å |
b | 12.917 ± 0.008 Å |
c | 13.155 ± 0.011 Å |
α | 86.77 ± 0.03° |
β | 72.56 ± 0.03° |
γ | 79.8 ± 0.02° |
Cell volume | 1686 ± 2 Å3 |
Cell temperature | 296.1 K |
Ambient diffraction temperature | 296.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0852 |
Weighted residual factors for all reflections included in the refinement | 0.2319 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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