Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4133329
Preview
Coordinates | 4133329.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | CdIF-13 DMF-solvate |
---|---|
Formula | C414 H422 Cd24 N122 O26 |
Calculated formula | C402 H394 Cd24 N118 O22 |
Title of publication | Influence of Metal Substitution on the Pressure-Induced Phase Change in Flexible Zeolitic Imidazolate Frameworks. |
Authors of publication | McGuirk, C. Michael; Runčevski, Tomče; Oktawiec, Julia; Turkiewicz, Ari; Taylor, Mercedes K.; Long, Jeffrey R. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 46 |
Pages of publication | 15924 - 15933 |
a | 16.2363 ± 0.0006 Å |
b | 22.6153 ± 0.001 Å |
c | 29.9087 ± 0.0012 Å |
α | 90° |
β | 94.639 ± 0.002° |
γ | 90° |
Cell volume | 10946.2 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0782 |
Residual factor for significantly intense reflections | 0.0596 |
Weighted residual factors for significantly intense reflections | 0.1412 |
Weighted residual factors for all reflections included in the refinement | 0.1508 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.7288 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/4133329.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.