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Information card for entry 4346104
Preview
Coordinates | 4346104.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H20 F6 Fe N9 O7 S2 |
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Calculated formula | C20 H20 F6 Fe N9 O7 S2 |
SMILES | [Fe]123(=C4N5C=CN4CN4C=1N(C=C4)CCN1C=2N(C=C1)CN1C=3N(C=C1)CC5)N=O.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | An exclusively organometallic {FeNO}(7) complex with tetracarbene ligation and a linear FeNO unit. |
Authors of publication | Kupper, Claudia; Schober, Anne; Demeshko, Serhiy; Bergner, Marie; Meyer, Franc |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 7 |
Pages of publication | 3096 - 3098 |
a | 10.506 ± 0.002 Å |
b | 12.075 ± 0.002 Å |
c | 12.948 ± 0.003 Å |
α | 66.52 ± 0.03° |
β | 88.96 ± 0.03° |
γ | 67.42 ± 0.03° |
Cell volume | 1373.3 ± 0.7 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 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 all reflections | 0.087 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1093 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4346104.html
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Users of the data should acknowledge the original authors of the
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