Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7038678
Preview
Coordinates | 7038678.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C109 H145 N6 Si Y3 |
---|---|
Calculated formula | C109 H145 N6 Si Y3 |
SMILES | [Y]1234([CH3][Y]567([CH3][Y]8([N](=C(N8c8c(cccc8C(C)C)C(C)C)c8ccccc8)c8c(cccc8C(C)C)C(C)C)([CH2]35)([CH3]1)[C]46#C[Si](C)(C)C)[N](=C(N7c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)[N](=C(N2c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1 |
Title of publication | Small molecule activation by mixed methyl/methylidene rare earth metal complexes. |
Authors of publication | Hong, Jianquan; Li, Zhenhua; Chen, Zhening; Weng, Linhong; Zhou, Xigeng; Zhang, Lixin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 15 |
Pages of publication | 6641 - 6649 |
a | 18.25 ± 0.006 Å |
b | 18.607 ± 0.007 Å |
c | 22.153 ± 0.008 Å |
α | 78.152 ± 0.006° |
β | 79.357 ± 0.005° |
γ | 62 ± 0.005° |
Cell volume | 6467 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1492 |
Residual factor for significantly intense reflections | 0.0658 |
Weighted residual factors for significantly intense reflections | 0.142 |
Weighted residual factors for all reflections included in the refinement | 0.1509 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7038678.html
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.