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Information card for entry 7014658
Preview
Coordinates | 7014658.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H48 Cu N3 O2 P2 |
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Calculated formula | C54 H46 Cu N3 O2 P2 |
SMILES | [Cu]1([n]2c3ccccc3ccc2c2n1c1c(n2)cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.OC.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 | 10.6781 ± 0.0005 Å |
b | 11.5317 ± 0.0005 Å |
c | 19.6402 ± 0.0008 Å |
α | 81.294 ± 0.001° |
β | 79.7 ± 0.001° |
γ | 77.3 ± 0.001° |
Cell volume | 2305.37 ± 0.17 Å3 |
Cell temperature | 186 ± 2 K |
Ambient diffraction temperature | 186 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0635 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.123 |
Weighted residual factors for all reflections included in the refinement | 0.1329 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7014658.html
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