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Information card for entry 7014657
Preview
Coordinates | 7014657.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H42 Cu N3 O2 P2 |
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Calculated formula | C53 H41 Cu N3 O2 P2 |
SMILES | [Cu]12(n3c4ccccc4nc3c3[n]1c1c(cc3)cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1[P]2(c1ccccc1)c1ccccc1.OC |
Title of publication | Neutral copper(I) phosphorescent complexes from their ionic counterparts with 2-(2'-quinolyl)benzimidazole and phosphine mixed ligands. |
Authors of publication | Min, Junhui; Zhang, Qisheng; Sun, Wei; Cheng, Yanxiang; Wang, Lixiang |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 3 |
Pages of publication | 686 - 693 |
a | 27.589 ± 0.0007 Å |
b | 27.589 ± 0.0007 Å |
c | 13.7636 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10476.2 ± 0.6 Å3 |
Cell temperature | 186 ± 2 K |
Ambient diffraction temperature | 186 ± 2 K |
Number of distinct elements | 6 |
Space group number | 82 |
Hermann-Mauguin space group symbol | I -4 |
Hall space group symbol | I -4 |
Residual factor for all reflections | 0.0898 |
Residual factor for significantly intense reflections | 0.0684 |
Weighted residual factors for significantly intense reflections | 0.178 |
Weighted residual factors for all reflections included in the refinement | 0.1919 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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