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Information card for entry 4119632
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4119632.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C104 H64 Cd3 Cu2 N8 O24 |
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Calculated formula | C104 H64 Cd3.164 Cu1.836 N8 O24 |
Title of publication | Stepwise Transformation of the Molecular Building Blocks in a Porphyrin-Encapsulating Metal-Organic Material |
Authors of publication | Zhenjie Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 5982 - 5985 |
a | 9.932 ± 0.004 Å |
b | 18.818 ± 0.008 Å |
c | 20.335 ± 0.009 Å |
α | 88.731 ± 0.01° |
β | 83.542 ± 0.009° |
γ | 86.247 ± 0.008° |
Cell volume | 3768 ± 3 Å3 |
Cell temperature | 228 ± 2 K |
Ambient diffraction temperature | 228 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1151 |
Residual factor for significantly intense reflections | 0.0754 |
Weighted residual factors for significantly intense reflections | 0.1723 |
Weighted residual factors for all reflections included in the refinement | 0.1861 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.841 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4119632.html
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Users of the data should acknowledge the original authors of the
structural data.