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Information card for entry 7000608
Preview
Coordinates | 7000608.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H50 B Cl3 F4 Fe N2 P4 |
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Calculated formula | C53 H50 B Cl3 F4 Fe N2 P4 |
SMILES | [Fe]123(Cl)[P](CP(=[N]2CC[N]3=P(c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.[B](F)(F)(F)[F-] |
Title of publication | Coordination of tetradentate X2N2 (X = P, S, O) ligands to iron(II) metal center and catalytic application in the transfer hydrogenation of ketones |
Authors of publication | Buchard, Antoine; Heuclin, Hadrien; Auffrant, Audrey; Le Goff, Xavier F.; Le Floch, Pascal |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 9 |
Pages of publication | 1659 - 1667 |
a | 10.868 ± 0.001 Å |
b | 13.934 ± 0.001 Å |
c | 18.166 ± 0.001 Å |
α | 100.819 ± 0.001° |
β | 101.043 ± 0.001° |
γ | 102.516 ± 0.001° |
Cell volume | 2559.3 ± 0.3 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0561 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0974 |
Weighted residual factors for all reflections included in the refinement | 0.1041 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71069 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/7000608.html
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