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Information card for entry 4069916
Preview
Coordinates | 4069916.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H60 B10 N4 Zr |
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Calculated formula | C30 H60 B10 N4 Zr |
SMILES | [Zr]123([N](C4CCCCC4)=C(N1C1CCCCC1)C)([N](C1CCCCC1)=C(N2C1CCCCC1)C)[C]1245[C]6783[BH]391[BH]1%102[BH]2%114[BH]456[BH]56%11[BH]%11%102[BH]291[BH]173[BH]845[BH]6%1121 |
Title of publication | Synthesis and Structural Characterization of Zirconium−Carboryne Complexes |
Authors of publication | Ren, Shikuo; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 19 |
Pages of publication | 5749 |
a | 10.7942 ± 0.0019 Å |
b | 29.126 ± 0.005 Å |
c | 12.214 ± 0.002 Å |
α | 90° |
β | 101.027 ± 0.003° |
γ | 90° |
Cell volume | 3769.1 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0388 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for significantly intense reflections | 0.0796 |
Weighted residual factors for all reflections included in the refinement | 0.0854 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
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/4069916.html
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Users of the data should acknowledge the original authors of the
structural data.