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Information card for entry 4071792
Preview
Coordinates | 4071792.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H42 Cl Fe N P2 |
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Calculated formula | C43 H42 Cl Fe N P2 |
SMILES | [Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C#Cc1ccc(Cl)nc1 |
Title of publication | Novel Straightforward Access to a 2,2′-Bipyridine Ligand Bearing Two “(η2-dppe)(η5-C5Me5)FeCC−” Redox-Active Substituents by Homocoupling of Mononuclear Organoiron(II) 2-Bromopyridyl Synthons |
Authors of publication | Justaud, Frédéric; Argouarch, Gilles; Ghazala, Safaa Ibn; Toupet, Loic; Paul, Frédéric; Lapinte, Claude |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 16 |
Pages of publication | 4260 |
a | 11.9115 ± 0.0003 Å |
b | 19.3856 ± 0.0003 Å |
c | 15.7925 ± 0.0003 Å |
α | 90° |
β | 92.116 ± 0.001° |
γ | 90° |
Cell volume | 3644.18 ± 0.13 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0692 |
Residual factor for significantly intense reflections | 0.0512 |
Weighted residual factors for significantly intense reflections | 0.1304 |
Weighted residual factors for all reflections included in the refinement | 0.1452 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178606 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17. |
4071792.cif |
120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071792.cif |
47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071792.cif |
44046 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071792 via cif-deposit CGI script. |
4071792.cif |
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Users of the data should acknowledge the original authors of the
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