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Information card for entry 1501702
Preview
Coordinates | 1501702.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H74 N16 O7 Si8 |
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Calculated formula | C78 H74 N16 O7 Si8 |
SMILES | C[Si](O[Si](C)(C)C)(O[Si]123(n4c5=Nc6[n]3c(=Nc3c7c(c(N=c8c9c(c([n]18)N=c4c1c5cccc1)cccc9)n23)cccc7)c1ccccc61)O[Si]123(n4c5=Nc6[n]3c(=Nc3c7c(c(N=c8c9c(c([n]18)N=c4c1c5cccc1)cccc9)n23)cccc7)c1ccccc61)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C |
Title of publication | Long, directional interactions in cofacial silicon phthalocyanine oligomers. |
Authors of publication | Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E. |
Journal of publication | The journal of physical chemistry. A |
Year of publication | 2011 |
Journal volume | 115 |
Journal issue | 45 |
Pages of publication | 12474 - 12485 |
a | 13.1488 ± 0.0006 Å |
b | 22.8889 ± 0.0011 Å |
c | 27.0083 ± 0.0012 Å |
α | 90° |
β | 99.438 ± 0.001° |
γ | 90° |
Cell volume | 8018.4 ± 0.6 Å3 |
Cell temperature | 298 ± 1 K |
Ambient diffraction temperature | 298 ± 1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1314 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.119 |
Weighted residual factors for all reflections included in the refinement | 0.1466 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
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/1501702.html
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