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Information card for entry 7211841
Preview
Coordinates | 7211841.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H8 I N O2 |
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Calculated formula | C12 H8 I N O2 |
Title of publication | Polymorphism, polar morphology and absolute structure determination of 4-iodo-4′-nitrobiphenyl (INBP) |
Authors of publication | Labat, Gaël; Behrnd, Norwid-Rasmus; Couderc, Gaëtan; Bonin, Michel; Tsuwi, Julius; Batagiannis, Athanasios; Berger, Ricarda; Bertoni, Mariana; Prodi-Schwab, Anna; Hulliger, Jürg |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 4 |
Pages of publication | 1252 |
a | 10.405 ± 0.003 Å |
b | 14.441 ± 0.005 Å |
c | 8.194 ± 0.002 Å |
α | 90° |
β | 112.074 ± 0.018° |
γ | 90° |
Cell volume | 1141 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.0535 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0511 |
Weighted residual factors for all reflections included in the refinement | 0.0576 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/7211841.html
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