Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2300692
Preview
| Coordinates | 2300692.cif |
|---|---|
| Structure factors | 2300692.hkl |
| Original paper (by DOI) | HTML |
| Formula | C42 H93 F21 N18 O32 Pr4 |
|---|---|
| Calculated formula | C42 H93 F21 N18 O32 Pr4 |
| Title of publication | Quick and robust PDF data acquisition using a laboratory single-crystal X-ray diffractometer for study of polynuclear lanthanide complexes in solid form and in solution |
| Authors of publication | Tsymbarenko, Dmitry; Grebenyuk, Dimitry; Burlakova, Maria; Zobel, Mirijam |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2022 |
| Journal volume | 55 |
| Journal issue | 4 |
| Pages of publication | 890 - 900 |
| a | 27.6254 ± 0.0009 Å |
| b | 12.7853 ± 0.0004 Å |
| c | 23.5496 ± 0.0008 Å |
| α | 90° |
| β | 98.4791 ± 0.0011° |
| γ | 90° |
| Cell volume | 8226.8 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0564 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1315 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277708 (current) | 2022-09-07 | cif/ Updating files of 2300692 Original log message: Adding full bibliography for 2300692.cif. |
2300692.cif 2300692.hkl |
| 276994 | 2022-07-29 | cif/ hkl/ Adding structures of 2300692 via cif-deposit CGI script. |
2300692.cif 2300692.hkl |
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.