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Information card for entry 7209645
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Coordinates | 7209645.cif |
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Original paper (by DOI) | HTML |
Common name | PIDA cocrystal with oxalamide host |
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Formula | C18 H14 I2 N4 O2 |
Calculated formula | C18 H14 I2 N4 O2 |
Title of publication | Pressure induced topochemical polymerization of diiodobutadiyne: a single-crystal-to-single-crystal transformation |
Authors of publication | Jin, Hongjian; Plonka, Anna M.; Parise, John B.; Goroff, Nancy S. |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 16 |
Pages of publication | 3106 |
a | 4.933 ± 0.0003 Å |
b | 8.4214 ± 0.0005 Å |
c | 12.3642 ± 0.0008 Å |
α | 100.542 ± 0.005° |
β | 82.986 ± 0.005° |
γ | 97.144 ± 0.005° |
Cell volume | 498.45 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1125 |
Residual factor for significantly intense reflections | 0.0673 |
Weighted residual factors for significantly intense reflections | 0.1787 |
Weighted residual factors for all reflections included in the refinement | 0.2064 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/7209645.html
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