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Information card for entry 7040990
Preview
Coordinates | 7040990.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H32 Co Fe S2 |
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Calculated formula | C25 H32 Co Fe S2 |
SMILES | [Co]123456([Fe]789%10%11%12%13([S]1[C]18C=CC=C[C]9=1[S]27)[c]1([c]%10([cH]%13[c]%12([c]%111C)C)C)C)[c]1([c]6([c]5([c]3([c]41C)C)C)C)C |
Title of publication | Structural characterization and proton reduction electrocatalysis of thiolate-bridged bimetallic (CoCo and CoFe) complexes. |
Authors of publication | Tong, Peng; Xie, Wenjie; Yang, Dawei; Wang, Baomin; Ji, Xiaoxiao; Li, Jianzhe; Qu, Jingping |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 46 |
Pages of publication | 18559 - 18565 |
a | 10.5974 ± 0.001 Å |
b | 11.0324 ± 0.0011 Å |
c | 12.0904 ± 0.0012 Å |
α | 79.404 ± 0.002° |
β | 66.981 ± 0.002° |
γ | 67.518 ± 0.002° |
Cell volume | 1201.1 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0453 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.0998 |
Weighted residual factors for all reflections included in the refinement | 0.1026 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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