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Information card for entry 7038611
Preview
| Coordinates | 7038611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H41 B20 F10 Ir N2 O2 |
|---|---|
| Calculated formula | C43 H41 B20 F10 Ir N2 O2 |
| SMILES | [Ir]123([n]4c(c5c2cc(cc5)[C]2567[C]89%10(c%11c(c(c(c(c%11F)F)F)F)F)[BH]%11%122[BH]2%135[BH]5%146[BH]678[BH]78%14[BH]%14%135[BH]5%112[BH]2%10%12[BH]967[BH]8%1452)cccc4)([n]2c(c4c3cc(cc4)[C]3456[C]789(c%10c(c(c(c(c%10F)F)F)F)F)[BH]%10%113[BH]3%127[BH]7%138[BH]849[BH]49%13[BH]%13%127[BH]7%113[BH]35%10[BH]684[BH]9%1373)cccc2)OC(=CC(=[O]1)C)C |
| Title of publication | The substituent effect of 2-R-o-carborane on the photophysical properties of iridium(iii) cyclometalates. |
| Authors of publication | Park, Jihyun; Lee, Young Hoon; Ryu, Ji Yeon; Lee, Junseong; Lee, Min Hyung |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 13 |
| Pages of publication | 5667 - 5675 |
| a | 11.0264 ± 0.0005 Å |
| b | 12.8256 ± 0.0007 Å |
| c | 18.9683 ± 0.001 Å |
| α | 78.772 ± 0.004° |
| β | 74.603 ± 0.004° |
| γ | 86.356 ± 0.004° |
| Cell volume | 2536.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1415 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.1619 |
| Weighted residual factors for all reflections included in the refinement | 0.199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181634 (current) | 2016-04-05 | cif/ Updating files of 7038607, 7038608, 7038609, 7038610, 7038611 Original log message: Adding full bibliography for 7038607--7038611.cif. |
7038611.cif |
| 177078 | 2016-03-01 | cif/ Adding structures of 7038607, 7038608, 7038609, 7038610, 7038611 via cif-deposit CGI script. |
7038611.cif |
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Users of the data should acknowledge the original authors of the
structural data.