Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4516260
Preview
| Coordinates | 4516260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Melamine |
|---|---|
| Formula | C13 H20 N12 |
| Calculated formula | C13 H20 N12 |
| SMILES | n1c(nc(nc1N)N)N.c1(nc(nc(n1)N)N)N.Cc1ccccc1 |
| Title of publication | Solvent Dependent Structures of Melamine: Porous or Nonporous? |
| Authors of publication | Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 4 |
| Pages of publication | 1871 |
| a | 12.2365 ± 0.0008 Å |
| b | 12.2365 ± 0.0008 Å |
| c | 24.574 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3679.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 80 |
| Hermann-Mauguin space group symbol | I 41 |
| Hall space group symbol | I 4bw |
| Residual factor for all reflections | 0.1036 |
| Residual factor for significantly intense reflections | 0.1025 |
| Weighted residual factors for significantly intense reflections | 0.1758 |
| Weighted residual factors for all reflections included in the refinement | 0.1954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231214 (current) | 2019-11-22 | cif/ Adding structures of 4516260 via cif-deposit CGI script. |
4516260.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.