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Information card for entry 7040199
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Coordinates | 7040199.cif |
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Original paper (by DOI) | HTML |
Common name | Triphos(Si)[Fe(NO)2] |
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Chemical name | Triphos(Si)[Fe(NO)2] |
Formula | C40 H39 Fe N2 O2 P3 Si |
Calculated formula | C40 H39 Fe N2 O2 P3 Si |
SMILES | [Fe]1([P](c2ccccc2)(C[Si](C[P](c2ccccc2)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)C)c1ccccc1)(N=O)N=O |
Title of publication | Phosphine-ligated dinitrosyl iron complexes for redox-controlled NO release. |
Authors of publication | Wittkamp, F.; Nagel, C.; Lauterjung, P.; Mallick, B.; Schatzschneider, U.; Apfel, U.-P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 25 |
Pages of publication | 10271 - 10279 |
a | 9.228 ± 0.0002 Å |
b | 9.2901 ± 0.0002 Å |
c | 12.6754 ± 0.0003 Å |
α | 91.268 ± 0.002° |
β | 110.4 ± 0.002° |
γ | 113.798 ± 0.002° |
Cell volume | 914.96 ± 0.04 Å3 |
Cell temperature | 112 ± 2 K |
Ambient diffraction temperature | 112 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0239 |
Residual factor for significantly intense reflections | 0.0233 |
Weighted residual factors for significantly intense reflections | 0.0608 |
Weighted residual factors for all reflections included in the refinement | 0.0611 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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