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Information card for entry 4084069
Preview
Coordinates | 4084069.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1b |
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Formula | C43 H37 Cl3 N2 P2 |
Calculated formula | C43 H37 Cl3 N2 P2 |
SMILES | P1(c2c(C=N[C@@H]([C@H](N=Cc3c(P(CC1)c1ccccc1)cccc3)c1ccccc1)c1ccccc1)cccc2)c1ccccc1.C(Cl)(Cl)Cl |
Title of publication | Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest |
Authors of publication | Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 15 |
Pages of publication | 4086 |
a | 14.02 ± 0.002 Å |
b | 15.516 ± 0.002 Å |
c | 17.188 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3739 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0277 |
Residual factor for significantly intense reflections | 0.0256 |
Weighted residual factors for significantly intense reflections | 0.067 |
Weighted residual factors for all reflections included in the refinement | 0.0686 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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