Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7227109
Preview
| Coordinates | 7227109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H23 Br2 N7 O4 Zn |
|---|---|
| Calculated formula | C13 H23 Br2 N7 O4 Zn |
| SMILES | [Br-].[Br-].[Zn]1234[n]5c(cccc5C(C)=[N]3NC(=[O]4)N)C(C)=[N]1NC(=[O]2)N.OC.OC |
| Title of publication | Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). |
| Authors of publication | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 46 |
| Pages of publication | 31653 - 31663 |
| a | 11.1965 ± 0.0004 Å |
| b | 13.5143 ± 0.0005 Å |
| c | 12.9627 ± 0.0005 Å |
| α | 90° |
| β | 95.488 ± 0.003° |
| γ | 90° |
| Cell volume | 1952.43 ± 0.13 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| 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 | 0.0394 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for significantly intense reflections | 1.75 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.65 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190280 (current) | 2017-01-09 | cif/ Updating files of 7227105, 7227106, 7227107, 7227108, 7227109, 7227110, 7227111 Original log message: Adding full bibliography for 7227105--7227111.cif. |
7227109.cif |
| 188455 | 2016-11-15 | cif/ Adding structures of 7227105, 7227106, 7227107, 7227108, 7227109, 7227110, 7227111 via cif-deposit CGI script. |
7227109.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.