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Information card for entry 4089201
Preview
Coordinates | 4089201.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H45 Fe N P2 |
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Calculated formula | C38 H45 Fe N P2 |
SMILES | [FeH]12345([P](N(C(C)(C)C)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C |
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 | 10.1047 ± 0.0007 Å |
b | 16.3099 ± 0.0011 Å |
c | 19.7871 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3261 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P 21 c n |
Hall space group symbol | P -2n 2a |
Residual factor for all reflections | 0.0255 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.052 |
Weighted residual factors for all reflections included in the refinement | 0.053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0315 |
Diffraction radiation wavelength | 0.71 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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