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Information card for entry 7228826
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Coordinates | 7228826.cif |
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Original paper (by DOI) | HTML |
Formula | C9 H22 N O4 P |
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Calculated formula | C9 H22 N O4 P |
SMILES | P(=O)([O-])(O)OC(C)C.[NH3+]C1CCCCC1 |
Title of publication | Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates |
Authors of publication | Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 13.4545 ± 0.0012 Å |
b | 6.1394 ± 0.0004 Å |
c | 16.6944 ± 0.0012 Å |
α | 90° |
β | 107.778 ± 0.008° |
γ | 90° |
Cell volume | 1313.15 ± 0.18 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.107 |
Residual factor for significantly intense reflections | 0.0935 |
Weighted residual factors for significantly intense reflections | 0.2879 |
Weighted residual factors for all reflections included in the refinement | 0.2919 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
199448 (current) | 2017-08-02 | cif/ Adding structures of 7228822, 7228823, 7228824, 7228825, 7228826, 7228827 via cif-deposit CGI script. |
7228826.cif |
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Users of the data should acknowledge the original authors of the
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