Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4102163
Preview
Coordinates | 4102163.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | InPyrene |
---|---|
Formula | C53 H53 In2 N3 O17 |
Calculated formula | C48 H24 In2 O10 |
Title of publication | A Guest-Responsive Fluorescent 3D Microporous Metal-Organic Framework Derived from a Long-Lifetime Pyrene Core |
Authors of publication | Kyriakos C. Stylianou; Romain Heck; Samantha Y. Chong; John Bacsa; James T. A. Jones; Yaroslav Z. Khimyak; Darren Bradshaw; Matthew J. Rosseinsky |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 4119 - 4130 |
a | 30.748 ± 0.018 Å |
b | 7.12 ± 0.004 Å |
c | 15.932 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3488 ± 3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 65 |
Hermann-Mauguin space group symbol | C m m m |
Hall space group symbol | -C 2 2 |
Residual factor for all reflections | 0.0943 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.164 |
Weighted residual factors for all reflections included in the refinement | 0.1741 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4102163.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.