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Information card for entry 4108114
Preview
Coordinates | 4108114.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H21 Al B9 N |
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Calculated formula | C6 H21 Al B9 N |
SMILES | [Al]12345([N](C[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)[CH]58%10%12)(C)C)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 | 7.2048 ± 0.001 Å |
b | 16.46 ± 0.002 Å |
c | 11.8821 ± 0.0016 Å |
α | 90° |
β | 96.673 ± 0.003° |
γ | 90° |
Cell volume | 1399.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.12 |
Residual factor for significantly intense reflections | 0.0579 |
Weighted residual factors for significantly intense reflections | 0.1392 |
Weighted residual factors for all reflections included in the refinement | 0.1658 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
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/4108114.html
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Users of the data should acknowledge the original authors of the
structural data.