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Information card for entry 4331109
Preview
Coordinates | 4331109.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H44 F6 Ir N8 O2 P |
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Calculated formula | C56 H44 F6 Ir N8 O2 P |
SMILES | COc1ccc([N]2=C3C(=[N]([Ir]452(c2ccccc2c2cn(Cc6ccccc6)n[n]42)c2ccccc2c2cn(Cc4ccccc4)n[n]52)c2ccc(cc2)OC)c2cccc4cccc3c24)cc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Panchromic Cationic Iridium(III) Complexes |
Authors of publication | Kamrul Hasan; Eli Zysman-Colman |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 12560 - 12564 |
a | 26.108 ± 0.002 Å |
b | 15.0999 ± 0.0013 Å |
c | 30.643 ± 0.003 Å |
α | 90° |
β | 123.664 ± 0.001° |
γ | 90° |
Cell volume | 10054.5 ± 1.5 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0391 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.0491 |
Weighted residual factors for all reflections included in the refinement | 0.0521 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation probe | x-ray |
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/4331109.html
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