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Information card for entry 7121053
Preview
Coordinates | 7121053.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H43 F12 N7 P2 Ru |
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Calculated formula | C50 H43 F12 N7 P2 Ru |
SMILES | [Ru]123([n]4ccccc4c4[n]1cc(cc4)C#Cc1cc4c5ccccc5n(c4cc1)CCCCCC)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Novel ruthenium and iridium complexes of N-substituted carbazole as triplet photosensitisers. |
Authors of publication | Wang, Junsi; Lu, Yue; McCarthy, William; Conway-Kenny, Robert; Twamley, Brendan; Zhao, Jianzhang; Draper, Sylvia M. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 9 |
Pages of publication | 1073 - 1076 |
a | 9.9192 ± 0.0003 Å |
b | 12.735 ± 0.0004 Å |
c | 19.0381 ± 0.0006 Å |
α | 86.0585 ± 0.0019° |
β | 80.675 ± 0.002° |
γ | 83.0251 ± 0.0018° |
Cell volume | 2352.61 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.064 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for significantly intense reflections | 0.1277 |
Weighted residual factors for all reflections included in the refinement | 0.138 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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