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Information card for entry 7048722
Preview
Coordinates | 7048722.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H20 B10 Cl2 N2 |
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Calculated formula | C16 H20 B10 Cl2 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 | 7.133 ± 0.002 Å |
b | 12.872 ± 0.004 Å |
c | 13.741 ± 0.004 Å |
α | 66.302 ± 0.004° |
β | 75.196 ± 0.005° |
γ | 83.836 ± 0.005° |
Cell volume | 1116.9 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0791 |
Residual factor for significantly intense reflections | 0.0618 |
Weighted residual factors for significantly intense reflections | 0.1943 |
Weighted residual factors for all reflections included in the refinement | 0.2156 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7048722.html
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