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Information card for entry 7228449
Preview
Coordinates | 7228449.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H72 Ba3 O30 P6 |
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Calculated formula | C30 H72 Ba3 O30 P6 |
Title of publication | Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers |
Authors of publication | Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H. |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 11.616 ± 0.002 Å |
b | 15.242 ± 0.003 Å |
c | 17.613 ± 0.004 Å |
α | 67.65 ± 0.03° |
β | 82.28 ± 0.03° |
γ | 82.8 ± 0.03° |
Cell volume | 2848.6 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0861 |
Residual factor for significantly intense reflections | 0.0614 |
Weighted residual factors for significantly intense reflections | 0.116 |
Weighted residual factors for all reflections included in the refinement | 0.1325 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
197673 (current) | 2017-06-09 | cif/ Adding structures of 7228448, 7228449, 7228450 via cif-deposit CGI script. |
7228449.cif |
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Users of the data should acknowledge the original authors of the
structural data.