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Information card for entry 2242425
Preview
Coordinates | 2242425.cif |
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Structure factors | 2242425.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(aminoguanidinium) 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) |
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Formula | C8 H14 N20 O4 |
Calculated formula | C8 H14 N20 O4 |
Title of publication | Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations |
Authors of publication | Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 4 |
Pages of publication | 505 - 513 |
a | 7.9458 ± 0.0004 Å |
b | 5.5586 ± 0.0002 Å |
c | 20.6066 ± 0.0009 Å |
α | 90° |
β | 97.647 ± 0.002° |
γ | 90° |
Cell volume | 902.05 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0506 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.1284 |
Weighted residual factors for all reflections included in the refinement | 0.1341 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
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206892 (current) | 2018-03-10 | cif/ hkl/ Adding structures of 2242421, 2242422, 2242423, 2242424, 2242425 via cif-deposit CGI script. |
2242425.cif 2242425.hkl |
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Users of the data should acknowledge the original authors of the
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