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Information card for entry 7212700
Preview
Coordinates | 7212700.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H168 Cu6 I6 N12 |
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Calculated formula | C90 H168 Cu6 I6 N12 |
SMILES | [I]12[Cu]3([I]4[Cu]51([I][Cu]45[n]1ccn(c1)CCCCCCCCCCCC)[n]1cn(cc1)CCCCCCCCCCCC)([n]1cn(cc1)CCCCCCCCCCCC)[I]1[Cu]23([I]2[Cu]41([I][Cu]24[n]1cn(cc1)CCCCCCCCCCCC)[n]1cn(cc1)CCCCCCCCCCCC)[n]1cn(cc1)CCCCCCCCCCCC |
Title of publication | Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation |
Authors of publication | Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg |
Journal of publication | Green Chemistry |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 9 |
Pages of publication | 1589 |
a | 9.7553 ± 0.0012 Å |
b | 13.5795 ± 0.0017 Å |
c | 20.6572 ± 0.003 Å |
α | 106.873 ± 0.016° |
β | 94.154 ± 0.016° |
γ | 95.814 ± 0.015° |
Cell volume | 2590.3 ± 0.6 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 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 | 0.0437 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0721 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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