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Information card for entry 7052587
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Coordinates | 7052587.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (2,2')-(1,2-phenylenebis(iminomethylidyne)bis(1-phenylbutane- 1,3-dione) (2-)-N,N',O$3!,O$3!')(bis(1H-imidazol-1-yl) methane)iron(ii) |
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Chemical name | [2,2']-[1,2-phenylenebis(iminomethylidyne)bis(1-phenylbutane-1,3-dione) (2-)-<i>N</i>,<i>N</i>',<i>O</i>^3^,<i>O</i>^3^'](bis(1<i>H</i>-imidazol-1-yl) methane)iron(II) |
Formula | C35 H30 Fe N6 O4 |
Calculated formula | C35 H30 Fe N6 O4 |
Title of publication | Complete and incomplete spin transitions in 1D chain iron(ii) compounds |
Authors of publication | Pfaffeneder, Toni M.; Thallmair, Sebastian; Bauer, Wolfgang; Weber, Birgit |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 3 |
Pages of publication | 691 |
a | 10.353 ± 0.0016 Å |
b | 10.928 ± 0.002 Å |
c | 15.794 ± 0.004 Å |
α | 75.074 ± 0.019° |
β | 81.233 ± 0.017° |
γ | 64.423 ± 0.018° |
Cell volume | 1555.7 ± 0.6 Å3 |
Cell temperature | 250 ± 2 K |
Ambient diffraction temperature | 250 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0946 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.11 |
Weighted residual factors for all reflections included in the refinement | 0.1179 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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