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Information card for entry 7213906
Preview
Coordinates | 7213906.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C2 H15 N6 O5 P |
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Calculated formula | C2 H15 N6 O5 P |
SMILES | C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O=P([O-])(O)[O-] |
Title of publication | Bulk growth and physical properties of diguanidinium phosphate monohydrate (G2HP) as a multi-functional crystal |
Authors of publication | Liu, Xitao; Wang, Xinqiang; Yin, Xin; Liu, Shande; He, Wen; Zhu, Luyi; Zhang, Guanghui; Xu, Dong |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 5 |
Pages of publication | 930 |
a | 16.842 ± 0.0002 Å |
b | 16.842 ± 0.0002 Å |
c | 7.249 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2056.2 ± 0.07 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 114 |
Hermann-Mauguin space group symbol | P -4 21 c |
Hall space group symbol | P -4 2n |
Residual factor for all reflections | 0.0423 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.069 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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