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Information card for entry 4089204
Preview
Coordinates | 4089204.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H64 B Cl Fe N P2 |
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Calculated formula | C62 H64 B Cl Fe N P2 |
SMILES | [Fe]12345(Cl)([P](N(C(C)(C)C)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]2(C)[c]5(C)[c]4([c]31C)C)C.c1c(cccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Solvent Effects on Hydride Transfer from Cp*(P-P)FeH to BNA+ Cation |
Authors of publication | Zhang, Fanjun; Xu, Xin; Zhao, Yingjie; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 7 |
Pages of publication | 1238 |
a | 16.278 ± 0.019 Å |
b | 16.013 ± 0.018 Å |
c | 22.44 ± 0.03 Å |
α | 90° |
β | 106.098 ± 0.017° |
γ | 90° |
Cell volume | 5620 ± 12 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1619 |
Residual factor for significantly intense reflections | 0.0851 |
Weighted residual factors for significantly intense reflections | 0.1751 |
Weighted residual factors for all reflections included in the refinement | 0.1994 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
Diffraction radiation wavelength | 0.71 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/4089204.html
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