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Information card for entry 4089221
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4089221.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H31 Cl3 Ir N3 O2 |
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Calculated formula | C41 H31 Cl3 Ir N3 O2 |
SMILES | c12ccccc1c1cc(cc3c4cccc5c4[Ir]([n]13)([n]1ccccc1)([n]1ccccc1)(O2)Oc1c5cccc1)c1ccc(cc1)C.C(Cl)(Cl)Cl |
Title of publication | Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications |
Authors of publication | Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 7 |
Pages of publication | 1331 |
a | 15.5975 ± 0.0007 Å |
b | 12.4727 ± 0.0006 Å |
c | 17.9014 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3482.6 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n 21 a |
Hall space group symbol | P -2ac -2n |
Residual factor for all reflections | 0.0242 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.0563 |
Weighted residual factors for all reflections included in the refinement | 0.0569 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4089221.html
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