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Information card for entry 4087880
Preview
Coordinates | 4087880.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H50 Fe |
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Calculated formula | C48 H50 Fe |
SMILES | [cH]12[c]34[c]5([c]67[c]1(c1c(Cc8c6cccc8)cccc1)[Fe]16892457[cH]2[c]1([c]6([c]8([c]92C(C)C)C(C)C)C(C)C)C(C)C)c1c(Cc2c3cccc2)cccc1 |
Title of publication | Cyclopentadienide Ligand CpC‒ Possessing Intrinsic Helical Chirality and Its Ferrocene Analogues |
Authors of publication | Chung, Jae-Yeon; Schulz, Christian; Bauer, Heiko; Sun, Yu; Sitzmann, Helmut; Auerbach, Hendrik; Pierik, Antonio J.; Schünemann, Volker; Neuba, Adam; Thiel, Werner R. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 22 |
Pages of publication | 5374 |
a | 10.338 ± 0.0003 Å |
b | 13.3024 ± 0.0004 Å |
c | 13.4816 ± 0.0004 Å |
α | 103.627 ± 0.003° |
β | 90.852 ± 0.002° |
γ | 95.177 ± 0.002° |
Cell volume | 1793.2 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0559 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.103 |
Weighted residual factors for all reflections included in the refinement | 0.1107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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