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Information card for entry 7052744
Preview
Coordinates | 7052744.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C100 H116 Cl8 F12 Fe2 N2 P6 |
---|---|
Calculated formula | C88 H88 Cl4 F12 Fe2 N2 P6 |
SMILES | [c]12([c]3([c]4([c]5([c]1([Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#Cc1cccc(c2cccc(C#C[Fe]34567([c]8([c]6([c]5([c]4([c]38C)C)C)C)C)[P](CC[P]7(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)n2)n1)C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl |
Title of publication | Novel 2,2′-bipyridine containing two (η2-dppe)(η5-C5Me5)Fe‒CC‒ redox-active units with an exceptionally spatially demanding substitution pattern |
Authors of publication | Justaud, Frederic; Roisnel, Thierry; Lapinte, Claude |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 10 |
Pages of publication | 2219 |
a | 11.32 ± 0.0003 Å |
b | 14.2718 ± 0.0004 Å |
c | 16.4565 ± 0.0004 Å |
α | 105.105 ± 0.001° |
β | 107.197 ± 0.001° |
γ | 95.493 ± 0.001° |
Cell volume | 2408.64 ± 0.11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0846 |
Residual factor for significantly intense reflections | 0.0761 |
Weighted residual factors for significantly intense reflections | 0.2255 |
Weighted residual factors for all reflections included in the refinement | 0.2322 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation probe | x-ray |
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/7052744.html
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