Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7717047
Preview
| Coordinates | 7717047.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H102 Cl6 Mo6 N18 O48 Zn Zr |
|---|---|
| Calculated formula | C36 H102 Cl6 Mo6 N18 O48 Zn Zr |
| Title of publication | Controlling the symmetry of hexamonodentate 3d-transition metal complexes through symmetry propagation from high-symmetry Ti-Mo and Zr-Mo clusters <i>via</i> hydrogen-bonding interactions. |
| Authors of publication | Mitsuhashi, Ryoji; Imai, Yuya; Sugiarto, ?; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 39 |
| Pages of publication | 16186 - 16194 |
| a | 21.778 ± 0.0003 Å |
| b | 21.778 ± 0.0003 Å |
| c | 14.7532 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6059.72 ± 0.14 Å3 |
| Cell temperature | 102 ± 2 K |
| Ambient diffraction temperature | 102 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0242 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0637 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296544 (current) | 2024-12-06 | cif/ Updating files of 7717042, 7717043, 7717044, 7717045, 7717046, 7717047, 7717048, 7717049 Original log message: Adding full bibliography for 7717042--7717049.cif. |
7717047.cif |
| 294810 | 2024-09-20 | cif/ Adding structures of 7717042, 7717043, 7717044, 7717045, 7717046, 7717047, 7717048, 7717049 via cif-deposit CGI script. |
7717047.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.