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Information card for entry 4345909
Preview
Coordinates | 4345909.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H12 Ag2 B12 F12 N4 |
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Calculated formula | C8 H12 Ag2 B12 F12 N4 |
SMILES | [B]1234([B]567(F)[B]89%10([B]%11%12%13([B]%14%15%16([B]%17%18%12([B]1%14([B]12%17(F)[B]8%11%18(F)[B]3591F)(F)[B]46%15([B]7%10%13%16F)F)F)F)F)F)F.C(C)#[N][Ag][N]#CC.[Ag]([N]#CC)[N]#CC |
Title of publication | Exceptional Structural Compliance of the B12F12(2-) Superweak Anion. |
Authors of publication | Peryshkov, Dmitry V.; Strauss, Steven H. |
Journal of publication | Inorganic chemistry |
Year of publication | 2017 |
Journal volume | 56 |
Journal issue | 7 |
Pages of publication | 4072 - 4083 |
a | 11.4426 ± 0.0007 Å |
b | 13.6213 ± 0.0007 Å |
c | 15.6534 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2439.8 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 66 |
Hermann-Mauguin space group symbol | C c c m |
Hall space group symbol | -C 2 2c |
Residual factor for all reflections | 0.034 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.0709 |
Weighted residual factors for all reflections included in the refinement | 0.0766 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4345909.html
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Users of the data should acknowledge the original authors of the
structural data.