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Information card for entry 4002998
Preview
Coordinates | 4002998.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ni-MaSOF |
---|---|
Formula | C64 H34 N6 Ni3 O6 S0.67 |
Calculated formula | C64 H34 N6 Ni3 O6 |
SMILES | c1c2c3O[Ni]45[N](=Cc6ccc7C8c9c%10C(c7c6O5)c5c6O[Ni]7%11Oc%12c(ccc%13C%14c(c3C(c3c%15O[Ni]%16%17[N](=Cc(cc9)c%10O%17)c9c([N]%16=Cc%15ccc%143)cccc9)c%12%13)c1)C=[N]%11c1ccccc1[N]7=Cc6ccc85)c1c([N]4=C2)cccc1 |
Title of publication | Metal-Assisted Salphen Organic Frameworks (MaSOFs) with Trinuclear Metal Units for Synergic Gas Sorption |
Authors of publication | Elbert, Sven M.; Zhang, Wen-Shan; Vaynzof, Yana; Oberhof, Nils; Bernhardt, Moritz; Pernpointner, Markus; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael |
Journal of publication | Chemistry of Materials |
Year of publication | 2019 |
Journal volume | 31 |
Journal issue | 16 |
Pages of publication | 6210 |
a | 19.4841 ± 0.0015 Å |
b | 19.4841 ± 0.0015 Å |
c | 29.403 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 9666.8 ± 1.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.066 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.108 |
Weighted residual factors for all reflections included in the refinement | 0.1173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4002998.html
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Users of the data should acknowledge the original authors of the
structural data.