Information card for entry 7014658

Structure parameters

• Formula: C54 H48 Cu N3 O2 P2
• 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 ų
• 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