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Information card for entry 4072175
Preview
Coordinates | 4072175.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10.5 H20 B10 Cl N O |
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Calculated formula | C10.5 H20 B10 Cl N O |
SMILES | [CH]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[B]%11%102([BH]291[CH]168[BH]734[BH]5%1121)NC(=O)Cc1ccccc1.C(Cl)Cl |
Title of publication | Catalytic Amidation of 9-Iodo-m-carborane and 2-Iodo-p-carborane at a Boron Atom |
Authors of publication | Mukhin, Sergey N.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Glukhov, Ivan V.; Starikova, Zoya A.; Bregadze, Vladimir I.; Beletskaya, Irina P. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 22 |
Pages of publication | 5937 |
a | 11.0222 ± 0.0016 Å |
b | 15.039 ± 0.002 Å |
c | 20.857 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3457.3 ± 0.8 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0881 |
Residual factor for significantly intense reflections | 0.0649 |
Weighted residual factors for significantly intense reflections | 0.1391 |
Weighted residual factors for all reflections included in the refinement | 0.1473 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
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/4072175.html
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