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Information card for entry 7101740
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Coordinates | 7101740.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C71.4 H67.6 N7.8 Ni3 O17.8 |
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Calculated formula | C57 H33 N3 Ni3 O13 |
Title of publication | Twelve-connected porous metal-organic frameworks with high H(2) adsorption. |
Authors of publication | Jia, Junhua; Lin, Xiang; Wilson, Claire; Blake, Alexander J; Champness, Neil R; Hubberstey, Peter; Walker, Gavin; Cussen, Edmund J; Schröder, Martin |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 8 |
Pages of publication | 840 - 842 |
a | 18.9996 ± 0.0016 Å |
b | 18.9996 ± 0.0016 Å |
c | 45.997 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 14380 ± 7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 167 |
Hermann-Mauguin space group symbol | R -3 c :H |
Hall space group symbol | -R 3 2"c |
Residual factor for all reflections | 0.0491 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.1265 |
Weighted residual factors for all reflections included in the refinement | 0.1293 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7101740.html
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