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Information card for entry 2236920
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2236920.cif |
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Structure factors | 2236920.hkl |
Original IUCr paper | HTML |
Chemical name | Diammine{<i>N</i>-[2-(hydroxyimino)propionyl]-<i>N</i>'-[2- (oxidoimino)propionyl]propane-1,3-diaminido- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}iron(III) |
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Formula | C9 H19 Fe N6 O4 |
Calculated formula | C9 H19 Fe N6 O4 |
Title of publication | Diammine{<i>N</i>-[2-(hydroxyimino)propionyl]-<i>N</i>'-[2-(oxidoimino)propionyl]propane-1,3-diaminido-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}iron(III) |
Authors of publication | Tomyn, Stefania; Haukka, Matti; Nedelkov, Ruslan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 12 |
Pages of publication | m1568 - m1569 |
a | 8.9111 ± 0.0003 Å |
b | 7.2255 ± 0.0003 Å |
c | 10.6194 ± 0.0004 Å |
α | 90° |
β | 108.994 ± 0.002° |
γ | 90° |
Cell volume | 646.52 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.039 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0708 |
Weighted residual factors for all reflections included in the refinement | 0.0741 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2236920.html
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Users of the data should acknowledge the original authors of the
structural data.