Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7216045
Preview
| Coordinates | 7216045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H14 Cu O8 P2 |
|---|---|
| Calculated formula | C8 H14 Cu O8 P2 |
| Title of publication | Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates |
| Authors of publication | Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 30 |
| Pages of publication | 7043 |
| a | 5.1671 ± 0.001 Å |
| b | 6.3007 ± 0.0012 Å |
| c | 10.029 ± 0.003 Å |
| α | 75.102 ± 0.005° |
| β | 84.496 ± 0.01° |
| γ | 76.61 ± 0.003° |
| Cell volume | 306.72 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0471 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180491 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/60. |
7216045.cif |
| 121583 | 2014-08-08 | cif/ Updating files of 7216041, 7216042, 7216043, 7216044, 7216045, 7216046, 7216047, 7216048 Original log message: Adding full bibliography for 7216041--7216048.cif. |
7216045.cif |
| 114134 | 2014-05-22 | cif/ Adding structures of 7216041, 7216042, 7216043, 7216044, 7216045, 7216046, 7216047, 7216048 via cif-deposit CGI script. |
7216045.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.