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Information card for entry 7048725
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7048725.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H34 B10 N2 |
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Calculated formula | C12 H34 B10 N2 |
Title of publication | Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes. |
Authors of publication | Pang, Ronglin; Li, Junxia; Cui, Zhongzheng; Zheng, Cheng; Li, Zhifang; Chen, Weifeng; Qi, Fan; Su, Li; Xiao, Xu-Qiong |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 21 |
Pages of publication | 7242 - 7248 |
a | 11.268 ± 0.008 Å |
b | 19.419 ± 0.014 Å |
c | 39.46 ± 0.03 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8634 ± 11 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 43 |
Hermann-Mauguin space group symbol | F d d 2 |
Hall space group symbol | F 2 -2d |
Residual factor for all reflections | 0.2822 |
Residual factor for significantly intense reflections | 0.096 |
Weighted residual factors for significantly intense reflections | 0.1791 |
Weighted residual factors for all reflections included in the refinement | 0.2295 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7048725.html
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Users of the data should acknowledge the original authors of the
structural data.