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Information card for entry 7228824
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Coordinates | 7228824.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H37 N2 O7 P |
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Calculated formula | C13 H37 N2 O7 P |
SMILES | P(=O)([O-])([O-])OC.O.[NH3+]C1CCCCC1.[NH3+]C1CCCCC1.O.O |
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 | 12.6511 ± 0.0005 Å |
b | 6.4515 ± 0.0002 Å |
c | 24.2892 ± 0.0007 Å |
α | 90° |
β | 98.918 ± 0.003° |
γ | 90° |
Cell volume | 1958.48 ± 0.11 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0927 |
Residual factor for significantly intense reflections | 0.0794 |
Weighted residual factors for significantly intense reflections | 0.2217 |
Weighted residual factors for all reflections included in the refinement | 0.2375 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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. |
7228824.cif |
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Users of the data should acknowledge the original authors of the
structural data.