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Information card for entry 7223928
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Coordinates | 7223928.cif |
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Original paper (by DOI) | HTML |
Formula | C4 H18 N2 O8 P2 |
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Calculated formula | C4 H18 N2 O8 P2 |
Title of publication | Hydrous salts of 1-aminoethylidenediphosphonic acid and piperazidine: temperature induced reversible structural transformation in humid environment |
Authors of publication | Yuan, Liangjie; Tian, Di; Chen, Shuo-ping; Li, Lang |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 5.7389 ± 0.0014 Å |
b | 9.985 ± 0.002 Å |
c | 11.457 ± 0.003 Å |
α | 115.505 ± 0.004° |
β | 94.461 ± 0.004° |
γ | 92.251 ± 0.004° |
Cell volume | 588.8 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0371 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0821 |
Weighted residual factors for all reflections included in the refinement | 0.0841 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
174566 (current) | 2016-01-19 | cif/ Adding structures of 7223927, 7223928 via cif-deposit CGI script. |
7223928.cif |
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Users of the data should acknowledge the original authors of the
structural data.