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Information card for entry 1515020
Preview
Coordinates | 1515020.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H36 I4 N8 O8 |
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Calculated formula | C29 H36 I4 N8 O8 |
Title of publication | Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels |
Authors of publication | Raatikainen, Kari; Rissanen, Kari |
Journal of publication | Chemical Science |
Year of publication | 2012 |
Journal volume | 3 |
Journal issue | 4 |
Pages of publication | 1235 |
a | 26.0769 ± 0.0005 Å |
b | 7.0625 ± 0.0001 Å |
c | 20.9842 ± 0.0004 Å |
α | 90° |
β | 108.622 ± 0.001° |
γ | 90° |
Cell volume | 3662.29 ± 0.11 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0316 |
Residual factor for significantly intense reflections | 0.0259 |
Weighted residual factors for significantly intense reflections | 0.053 |
Weighted residual factors for all reflections included in the refinement | 0.055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1515020.html
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Users of the data should acknowledge the original authors of the
structural data.