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Information card for entry 4116578
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Coordinates | 4116578.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Fe(NO)(TC-5,5)] (3) |
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Formula | C24 H30 Fe N5 O |
Calculated formula | C24 H30 Fe N5 O |
SMILES | [Fe]123([N]4=C5C=CC=CC=C5N1CCCCC[N]2=C1C=CC=CC=C1N3CCCCC4)N=O |
Title of publication | NO Disproportionation Reactivity of Fe Tropocoronand Complexes |
Authors of publication | Katherine J. Franz; Stephen J. Lippard |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 10504 - 10512 |
a | 9.21 ± 0.003 Å |
b | 10.096 ± 0.005 Å |
c | 23.334 ± 0.008 Å |
α | 90° |
β | 94.58 ± 0.03° |
γ | 90° |
Cell volume | 2162.8 ± 1.5 Å3 |
Cell temperature | 188 ± 2 K |
Ambient diffraction temperature | 188 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1082 |
Residual factor for significantly intense reflections | 0.0608 |
Weighted residual factors for significantly intense reflections | 0.1768 |
Weighted residual factors for all reflections included in the refinement | 0.1925 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178936 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/65. |
4116578.cif |
72704 | 2013-01-26 | cif/ Adding structures of 4116578 via cif-deposit CGI script. |
4116578.cif |
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Users of the data should acknowledge the original authors of the
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