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Information card for entry 4328779
Preview
Coordinates | 4328779.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H35 Ir N4 O8 S2 |
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Calculated formula | C40 H35 Ir N4 O8 S2 |
SMILES | [Ir]123([n]4c(sc5ccccc45)c4c1cccc4)([n]1c(sc4ccccc14)c1c3cccc1)[n]1ccc(cc1c1[n]2ccc(c1)C(=O)O)C(=O)[O-].OC.OC.O.O |
Title of publication | Impact of Ligand Modification on Hydrogen Photogeneration and Light-Harvesting Applications Using Cyclometalated Iridium Complexes |
Authors of publication | Yong-Jun Yuan; Ji-Yuan Zhang; Zhen-Tao Yu; Jian-Yong Feng; Wen-Jun Luo; Jin-Hua Ye; Zhi-Gang Zou |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 4123 - 4133 |
a | 15.59 ± 0.003 Å |
b | 13.615 ± 0.003 Å |
c | 18.65 ± 0.004 Å |
α | 90° |
β | 96.07 ± 0.03° |
γ | 90° |
Cell volume | 3936.4 ± 1.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1151 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.1489 |
Weighted residual factors for all reflections included in the refinement | 0.1698 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/4328779.html
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