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Information card for entry 4311099
Preview
Coordinates | 4311099.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H108 Al8 I6 N2 Si6 |
---|---|
Calculated formula | C54 H108 Al8 I6 N2 Si6 |
SMILES | C[N](C)(C)[Al]12345[Al]6789(I)[C]%101(CC[Si](C)(C)C)[Al]1%11%125([C]53(CC[Si](C)(C)C)[Al]3%13%144([C]26(CC[Si](C)(C)C)[Al]249%14([C]63(CC[Si](C)(C)C)[Al]3%115%13([C]51(CC[Si](C)(C)C)[Al]18%10%12([C]72(CC[Si](C)(C)C)[Al]46351[N](C)(C)C)I)I)I)I)I.c1ccccc1.c1ccccc1 |
Title of publication | Synthesis of Carbaalane Halogen Derivatives |
Authors of publication | Andreas Stasch; Herbert W. Roesky; Denis Vidovic; Jörg Magull; Hans-Georg Schmidt; Mathias Noltemeyer |
Journal of publication | Inorganic Chemistry |
Year of publication | 2004 |
Journal volume | 43 |
Pages of publication | 3625 - 3630 |
a | 15.4323 ± 0.001 Å |
b | 15.4323 ± 0.001 Å |
c | 29.624 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 6109.9 ± 0.7 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 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 | 0.0168 |
Residual factor for significantly intense reflections | 0.0153 |
Weighted residual factors for significantly intense reflections | 0.0374 |
Weighted residual factors for all reflections included in the refinement | 0.038 |
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 | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4311099.html
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Users of the data should acknowledge the original authors of the
structural data.