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Information card for entry 4108112
Preview
Coordinates | 4108112.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H33 Al B9 N |
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Calculated formula | C20 H33 Al B9 N |
SMILES | [Al]12345([N](CC[C]6784[BH]49%10[BH]%11%12%13[BH]%1464[BH]46%11[BH]%11%15%12[BH]%129%13[BH]1%11([BH]24%15[BH]37%146)[C]58%10%12C)(Cc1ccccc1)Cc1ccccc1)C |
Title of publication | Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes |
Authors of publication | Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 9904 - 9917 |
a | 8.524 ± 0.01 Å |
b | 9.517 ± 0.012 Å |
c | 14.591 ± 0.019 Å |
α | 101.15 ± 0.03° |
β | 95.1 ± 0.03° |
γ | 95.52 ± 0.03° |
Cell volume | 1149 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.2808 |
Residual factor for significantly intense reflections | 0.078 |
Weighted residual factors for significantly intense reflections | 0.1542 |
Weighted residual factors for all reflections included in the refinement | 0.2158 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.736 |
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/4108112.html
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Users of the data should acknowledge the original authors of the
structural data.