Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7705059
Preview
| Coordinates | 7705059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H100 N3 O P4 Pd Y |
|---|---|
| Calculated formula | C98 H100 N3 O P4 Pd Y |
| SMILES | [Y]1(OC(=C(c2ccccc2)c2ccccc2)P(=[N]1C12CC3CC(C1)CC(C2)C3)(c1ccccc1)c1ccccc1)(N([P]([Pd]1[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)C23CC4CC(C3)CC(C2)C4)N([P]1(c1ccccc1)c1ccccc1)C12CC3CC(C2)CC(C1)C3 |
| 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 | 15.7099 ± 0.0007 Å |
| b | 16.2124 ± 0.0008 Å |
| c | 20.5395 ± 0.0011 Å |
| α | 90.746 ± 0.002° |
| β | 97.105 ± 0.002° |
| γ | 92.274 ± 0.002° |
| Cell volume | 5186.2 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1203 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1768 |
| Weighted residual factors for all reflections included in the refinement | 0.2089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257557 (current) | 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. |
7705059.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. |
7705059.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.