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Information card for entry 7015971
Preview
Coordinates | 7015971.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H46 Co Fe P4 |
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Calculated formula | C40 H46 Co Fe P4 |
SMILES | [Fe]1234([P](c5ccccc5)(c5ccccc5)[c]5([Co]6789%10[P](C)(C)C)[cH]7[cH]8[cH]9[cH]%105)([P](C)(C)C)[c]5([P]6(c6ccccc6)c6ccccc6)[cH]1[cH]2[cH]3[cH]45 |
Title of publication | Synthesis, structure and DFT study of dinuclear iron, cobalt and nickel complexes with cyclopentadienyl-metal moieties. |
Authors of publication | Liu, Nazhen; Li, Xiaoyan; Xu, Xiaofeng; Wang, Zhiping; Sun, Hongjian |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 26 |
Pages of publication | 6886 - 6892 |
a | 13.2681 ± 0.0019 Å |
b | 15.846 ± 0.002 Å |
c | 17.926 ± 0.003 Å |
α | 90° |
β | 93.362 ± 0.002° |
γ | 90° |
Cell volume | 3762.4 ± 1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0581 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.1161 |
Weighted residual factors for all reflections included in the refinement | 0.1243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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