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Information card for entry 7000843
Preview
Coordinates | 7000843.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H24 B10 N2 Sn |
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Calculated formula | C14 H24 B10 N2 Sn |
SMILES | [Sn]123456([C]78([BH]91[C]1%103([BH]3%119[BH]9%128[BH]827[BH]274[BH]498[BH]83%12[BH]3%10%11[BH]512[BH]7483)C)C)[n]1ccccc1c1[n]6cccc1 |
Title of publication | Adducts of the supraicosahedral stannacarborane 1,6-Me2-4,1,6-closo-SnC2B10H10; synthetic, structural and computational studies |
Authors of publication | Abram, Peter D.; McKay, David; Ellis, David; Macgregor, Stuart A.; Rosair, Georgina M.; Sancho, Rodrigo; Welch, Alan J. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 13 |
Pages of publication | 2345 - 2351 |
a | 7.9073 ± 0.0008 Å |
b | 16.9367 ± 0.0014 Å |
c | 14.7949 ± 0.0013 Å |
α | 90° |
β | 95.924 ± 0.004° |
γ | 90° |
Cell volume | 1970.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0623 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.0847 |
Weighted residual factors for all reflections included in the refinement | 0.0902 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
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/7000843.html
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