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Information card for entry 4080459
Preview
Coordinates | 4080459.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H68 Zr4 |
---|---|
Calculated formula | C40 H68 Zr4 |
SMILES | [Zr]12345678([H][Zr]9%10%11%12%13%14%15([H][Zr]%16%17%18%19([H][Zr]%20%21%22%23([c]%24([c]%20([c]%21([c]%22([c]%23%24C)C)C)C)C)([H]1)([H]9)[H]2%10)([c]1([c]%16([c]%17([c]%18([c]%191C)C)C)C)C)([H]7)[H]8%11)[c]1([c]%12([c]%15([c]%14([c]%131C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C |
Title of publication | Tetranuclear Zirconium and Hafnium Polyhydride Complexes Composed of the “CpMH2” Units |
Authors of publication | Hu, Shaowei; Shima, Takanori; Luo, Yi; Hou, Zhaomin |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 7 |
Pages of publication | 2145 |
a | 11.3569 ± 0.0017 Å |
b | 11.446 ± 0.0017 Å |
c | 18.867 ± 0.003 Å |
α | 82.332 ± 0.002° |
β | 81.631 ± 0.002° |
γ | 65.028 ± 0.002° |
Cell volume | 2192.5 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1032 |
Residual factor for significantly intense reflections | 0.0814 |
Weighted residual factors for significantly intense reflections | 0.2075 |
Weighted residual factors for all reflections included in the refinement | 0.2169 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
Diffraction radiation wavelength | 0.71073 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/4080459.html
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Users of the data should acknowledge the original authors of the
structural data.