Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4133112
Preview
Coordinates | 4133112.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C93.05 H109.57 Cl12 N16.53 O6 Pd6 |
---|---|
Calculated formula | C93.02 H97.53 Cl12 N16.51 O6 Pd6 |
Title of publication | Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition. |
Authors of publication | Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 48 |
Pages of publication | 16610 - 16614 |
a | 19.6067 ± 0.0004 Å |
b | 51.7809 ± 0.0013 Å |
c | 14.2567 ± 0.0003 Å |
α | 90° |
β | 90.818 ± 0.002° |
γ | 90° |
Cell volume | 14472.7 ± 0.6 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1793 |
Residual factor for significantly intense reflections | 0.1544 |
Weighted residual factors for significantly intense reflections | 0.3196 |
Weighted residual factors for all reflections included in the refinement | 0.3302 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.177 |
Diffraction radiation wavelength | 0.71075 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/4133112.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.