Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7228823
Preview
Coordinates | 7228823.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H20 N O4 P |
---|---|
Calculated formula | C8 H20 N O4 P |
SMILES | CCOP(=O)([O-])O.C1(CCCCC1)[NH3+] |
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 | 22.8176 ± 0.001 Å |
b | 5.9912 ± 0.0003 Å |
c | 18.3149 ± 0.0007 Å |
α | 90° |
β | 96.199 ± 0.004° |
γ | 90° |
Cell volume | 2489.1 ± 0.19 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0574 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.115 |
Weighted residual factors for all reflections included in the refinement | 0.1248 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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. |
7228823.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.