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Information card for entry 4119633
Preview
Coordinates | 4119633.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C104 H62 Cd4 Cu N8 O24 |
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Calculated formula | C104 H62 Cd4 Cu0.978 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 | 9.915 ± 0.008 Å |
b | 18.65 ± 0.014 Å |
c | 20.341 ± 0.016 Å |
α | 88.702 ± 0.015° |
β | 84.514 ± 0.015° |
γ | 85.703 ± 0.013° |
Cell volume | 3733 ± 5 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 | 0.0865 |
Residual factor for significantly intense reflections | 0.0653 |
Weighted residual factors for significantly intense reflections | 0.1485 |
Weighted residual factors for all reflections included in the refinement | 0.1562 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.924 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4119633.html
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