Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7705051
Preview
| Coordinates | 7705051.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H75 N3 P3 Sc |
|---|---|
| Calculated formula | C66 H75 N3 P3 Sc |
| SMILES | [Sc]123([P](N1C14CC5CC(C1)CC(C4)C5)(c1ccccc1)c1ccccc1)([P](N2C12CC4CC(C1)CC(C2)C4)(c1ccccc1)c1ccccc1)[P](N3C12CC3CC(C1)CC(C2)C3)(c1ccccc1)c1ccccc1 |
| Title of publication | Heterobimetallic Pd(0) complexes with Pd→ Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity. |
| Authors of publication | Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 35 |
| Pages of publication | 12311 - 12318 |
| a | 23.373 ± 0.005 Å |
| b | 13.307 ± 0.003 Å |
| c | 20.286 ± 0.004 Å |
| α | 90° |
| β | 96.19 ± 0.03° |
| γ | 90° |
| Cell volume | 6273 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0679 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1681 |
| Weighted residual factors for all reflections included in the refinement | 0.1728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71076 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7705051.cif |
| 257557 | 2020-10-06 | cif/ Updating files of 7705051, 7705052, 7705053, 7705054, 7705055, 7705056, 7705057, 7705058, 7705059, 7705060, 7705061 Original log message: Adding full bibliography for 7705051--7705061.cif. |
7705051.cif |
| 255152 | 2020-08-07 | cif/ Adding structures of 7705051, 7705052, 7705053, 7705054, 7705055, 7705056, 7705057, 7705058, 7705059, 7705060, 7705061 via cif-deposit CGI script. |
7705051.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.