Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105877
Preview
| Coordinates | 8105877.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | diaqua-bis(1,10-phenanthroline)-nickel(II) trifluoroacetate trifluoroacetic acid |
|---|---|
| Formula | C30 H21 F9 N4 Ni O8 |
| Calculated formula | C30 H21 F9 N4 Ni O8 |
| Title of publication | Crystal structure of diaqua-bis(1,10-phenanthroline κ2 N,N′)nickel(II) trifluoroacetate- trifluoroacetic acid (1/1), C30H21F9N4NiO8 |
| Authors of publication | Zhang, Lan; Wang, Qiang; Ding, Wu-Xiu; Hao, Hui-Min |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 5 |
| Pages of publication | 869 - 871 |
| a | 10.063 ± 0.0011 Å |
| b | 9.625 ± 0.001 Å |
| c | 18.196 ± 0.002 Å |
| α | 90° |
| β | 116.1 ± 0.03° |
| γ | 90° |
| Cell volume | 1582.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0903 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1129 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278208 (current) | 2022-09-27 | cif/ Adding structures of 8105877 via cif-deposit CGI script. |
8105877.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.