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Information card for entry 7036399
Preview
Coordinates | 7036399.cif |
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Original paper (by DOI) | HTML |
Formula | C34.25 H50.5 Cl6.5 Fe N4 |
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Calculated formula | C34.25 H50.5 Cl6.5 Fe N4 |
Title of publication | Spin transitions in bis(amidinato)-N-heterocyclic carbene iron(ii) and iron(iii) complexes. |
Authors of publication | Drake, Jessica L.; Kaplan, Hilan Z.; Wilding, Matthew J. T.; Li, Bo; Byers, Jeffery A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 38 |
Pages of publication | 16703 - 16707 |
a | 21.4058 ± 0.0009 Å |
b | 21.4058 ± 0.0009 Å |
c | 35.1534 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 16107.6 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0559 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1152 |
Weighted residual factors for all reflections included in the refinement | 0.1253 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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