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Information card for entry 7015966
Preview
Coordinates | 7015966.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H46 Co Ni P4 |
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Calculated formula | C40 H46 Co Ni P4 |
SMILES | [Ni]12345([P](C)(C)C)[P](c6ccccc6)(c6ccccc6)[c]67[cH]8[Co]9%106([P](C)(C)C)([P]([c]62[cH]3[cH]4[cH]5[cH]16)(c1ccccc1)c1ccccc1)[cH]8[cH]9[cH]7%10 |
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 | 25.604 ± 0.005 Å |
b | 18.385 ± 0.004 Å |
c | 17.539 ± 0.004 Å |
α | 90° |
β | 98.91 ± 0.03° |
γ | 90° |
Cell volume | 8156 ± 3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
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 | 0.2057 |
Residual factor for significantly intense reflections | 0.1016 |
Weighted residual factors for significantly intense reflections | 0.1963 |
Weighted residual factors for all reflections included in the refinement | 0.2367 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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