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Information card for entry 7052588
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Coordinates | 7052588.cif |
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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 | 10.3326 ± 0.0016 Å |
b | 10.8298 ± 0.0017 Å |
c | 15.673 ± 0.003 Å |
α | 74.763 ± 0.014° |
β | 80.991 ± 0.014° |
γ | 64.329 ± 0.015° |
Cell volume | 1523.3 ± 0.5 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 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 | 0.1025 |
Residual factor for significantly intense reflections | 0.0567 |
Weighted residual factors for significantly intense reflections | 0.1159 |
Weighted residual factors for all reflections included in the refinement | 0.1243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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