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Information card for entry 7015994
Preview
Coordinates | 7015994.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H35 F4 Ir N6 O3 |
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Calculated formula | C35 H35 F4 Ir N6 O3 |
SMILES | [Ir]123(OC(=O)c4[n]1ccc(N(C)C)c4)([n]1ccc(N(C)C)cc1c1c(F)cc(F)cc21)[n]1c(c2c3cc(F)cc2F)cc(N(C)C)cc1.OC |
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 | 9.4762 ± 0.0008 Å |
b | 13.8917 ± 0.0009 Å |
c | 15.4205 ± 0.0014 Å |
α | 108.231 ± 0.007° |
β | 93.78 ± 0.007° |
γ | 107.916 ± 0.007° |
Cell volume | 1804.8 ± 0.3 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 | 0.1127 |
Residual factor for significantly intense reflections | 0.0667 |
Weighted residual factors for significantly intense reflections | 0.1024 |
Weighted residual factors for all reflections included in the refinement | 0.1129 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
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/7015994.html
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