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Information card for entry 7015991
Preview
Coordinates | 7015991.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H42 F10 Ir N8 P |
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Calculated formula | C40 H42 F10 Ir N8 P |
SMILES | [Ir]12([n]3c(c4c1cc(F)cc4F)cc(N(C)C)cc3)([n]1ccc(N(C)C)cc1)([n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1c1c(F)cc(F)cc21.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Room-temperature combinatorial screening of cyclometallated iridium(iii) complexes for a step towards molecular control of colour purity. |
Authors of publication | Baranoff, Etienne; Jung, Il; Scopelliti, Rosario; Solari, Euro; Grätzel, Michael; Nazeeruddin, Md Khaja |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 26 |
Pages of publication | 6860 - 6867 |
a | 9.8685 ± 0.0003 Å |
b | 12.184 ± 0.0003 Å |
c | 18.1833 ± 0.0005 Å |
α | 82.031 ± 0.002° |
β | 74.703 ± 0.002° |
γ | 82.763 ± 0.002° |
Cell volume | 2079.33 ± 0.1 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 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 | 0.0323 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for significantly intense reflections | 0.0715 |
Weighted residual factors for all reflections included in the refinement | 0.0727 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/7015991.html
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