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Information card for entry 4506536
Preview
Coordinates | 4506536.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H25 F6 I2 N2 P |
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Calculated formula | C12 H25 F6 I2 N2 P |
Title of publication | Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts |
Authors of publication | Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 8 |
Pages of publication | 4157 |
a | 17.564 ± 0.0007 Å |
b | 8.4479 ± 0.0004 Å |
c | 13.0119 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1930.69 ± 0.14 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0543 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.1027 |
Weighted residual factors for all reflections included in the refinement | 0.1048 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
Diffraction radiation wavelength | 0.71069 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/4506536.html
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structural data.