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Information card for entry 4072173
Preview
Coordinates | 4072173.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H46 B10 N O3 Y |
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Calculated formula | C28 H46 B10 N O3 Y |
SMILES | [Y]1234567([N](c8c(C6)cccc8)(C)C)([C]689%10[BH]%11%12%13[BH]%14%15%16[BH]%17%18%19[BH]%206([BH]6%21%18[BH]%18%15%17[BH]%15%12%14[BH]%128%11[BH]9%206[BH]%21%18%15%12)[C]%10%13%16%19[c]61[c]12cccc[c]31[cH]4[cH]56)[O](C)CC[O]7C.C1CCCO1 |
Title of publication | Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η5:σ-(C9H6)C2B10H10]2− |
Authors of publication | Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 20 |
Pages of publication | 5309 |
a | 16.4219 ± 0.0013 Å |
b | 17.2152 ± 0.0014 Å |
c | 28.682 ± 0.002 Å |
α | 90° |
β | 120.51 ± 0.002° |
γ | 90° |
Cell volume | 6985.9 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.2514 |
Residual factor for significantly intense reflections | 0.0838 |
Weighted residual factors for significantly intense reflections | 0.1908 |
Weighted residual factors for all reflections included in the refinement | 0.2759 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
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/4072173.html
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Users of the data should acknowledge the original authors of the
structural data.