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Information card for entry 4101460
Preview
Coordinates | 4101460.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H65 B11 Ni O3 P2 |
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Calculated formula | C43 H65 B11 Ni O3 P2 |
SMILES | [Ni]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[C]1678[C]9%102(CCC1)[BH]12%118[BH]8%127[BH]736[BH]368[BH]82%12[BH]2%12%11[BH]%1191[BH]14%10[BH]42%11[BH]5731[BH]68%124.O1CCCC1.O1CCCC1.O1CCCC1 |
Title of publication | Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes. |
Authors of publication | Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Journal issue | 15 |
Pages of publication | 5219 - 5230 |
a | 11.0023 ± 0.001 Å |
b | 11.6631 ± 0.001 Å |
c | 20.3879 ± 0.0018 Å |
α | 81.851 ± 0.001° |
β | 77.994 ± 0.001° |
γ | 68.843 ± 0.001° |
Cell volume | 2380.1 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0991 |
Residual factor for significantly intense reflections | 0.0638 |
Weighted residual factors for significantly intense reflections | 0.1751 |
Weighted residual factors for all reflections included in the refinement | 0.194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/4101460.html
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