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Information card for entry 7039172
Preview
Coordinates | 7039172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H42 Br F4 Ir N4 O4 S2 |
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Calculated formula | C46 H42 Br F4 Ir N4 O4 S2 |
SMILES | [Ir]123(Oc4ccc(Br)cc4c4[n]1c(c([nH]4)c1c(sc(c1)C)C)c1c(sc(c1)C)C)([n]1ccccc1c1c(F)cc(F)cc21)[n]1ccccc1c1c(F)cc(F)cc31.OC.OC.OC |
Title of publication | Heteroleptic Ir(iii) and Pt(ii) complexes based on 2-(2,4-difluorophenyl)-pyridine and bisthienylethene BrLH: the influence of the metal center on structures, luminescence and photochromism. |
Authors of publication | Gong, Dan-Ping; Cao, Deng-Ke |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 22 |
Pages of publication | 9328 - 9335 |
a | 11.976 ± 0.004 Å |
b | 14.503 ± 0.005 Å |
c | 14.914 ± 0.005 Å |
α | 68.852 ± 0.004° |
β | 79.949 ± 0.005° |
γ | 75.8 ± 0.005° |
Cell volume | 2331.5 ± 1.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.071 |
Weighted residual factors for all reflections included in the refinement | 0.0731 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7039172.html
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