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Information card for entry 2017567
Preview
Coordinates | 2017567.cif |
---|---|
Structure factors | 2017567.hkl |
Original IUCr paper | HTML |
Chemical name | bis[4'-(<i>p</i>-tolyl)-2,2':6',2''-terpyridine]iridium(III) tris(hexafluorophosphate) acetonitrile disolvate |
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Formula | C48 H40 F18 Ir N8 P3 |
Calculated formula | C48 H40 F18 Ir N8 P3 |
SMILES | c1cccc2[n]1[Ir]134([n]5ccccc5c5cc(cc([n]15)c1[n]4cccc1)c1ccc(cc1)C)[n]1c2cc(cc1c1[n]3cccc1)c1ccc(cc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.[P](F)(F)(F)(F)(F)[F-].N#CC |
Title of publication | Mono- and bis-tolylterpyridine iridium(III) complexes |
Authors of publication | Hinkle, Lindsay M.; Young, Jr, Victor G.; Mann, Kent R. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 3 |
Pages of publication | m62 - m64 |
a | 14.6977 ± 0.0014 Å |
b | 16.3737 ± 0.0016 Å |
c | 21.42 ± 0.002 Å |
α | 90° |
β | 105.639 ± 0.002° |
γ | 90° |
Cell volume | 4964 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0782 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.1289 |
Weighted residual factors for all reflections included in the refinement | 0.1455 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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