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Information card for entry 4063755
Preview
Coordinates | 4063755.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H42 Cl3 Fe4 N |
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Calculated formula | C51 H42 Cl3 Fe4 N |
SMILES | c1(c(c(c([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)n1c1ccccc1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12.C(Cl)(Cl)Cl |
Title of publication | Electronically Intercommunicating Iron Centers in Di- and Tetraferrocenyl Pyrroles§ |
Authors of publication | Hildebrandt, Alexander; Schaarschmidt, Dieter; Lang, Heinrich |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 3 |
Pages of publication | 556 |
a | 11.5111 ± 0.0006 Å |
b | 11.9216 ± 0.0005 Å |
c | 15.8448 ± 0.0011 Å |
α | 84.922 ± 0.004° |
β | 76.734 ± 0.005° |
γ | 70.897 ± 0.004° |
Cell volume | 1999.6 ± 0.2 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0496 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0656 |
Weighted residual factors for all reflections included in the refinement | 0.0677 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
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/4063755.html
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Users of the data should acknowledge the original authors of the
structural data.