Information card for entry 7017971

Structure parameters

• Formula: C50 H39 Cl2 Cu N2 O P2
• Calculated formula: C50 H39 Cl2 Cu N2 O P2
• SMILES: [Cu]12([n]3ccccc3c3n1c1c(c3)cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1[P]2(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Neutral cuprous complexes as ratiometric oxygen gas sensors.
• Authors of publication: Liu, Xiaohui; Sun, Wei; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Wang, Lixiang; Cheng, Yanxiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1312 - 1319
• a: 9.586 ± 0.004 Å
• b: 11.37 ± 0.004 Å
• c: 20.412 ± 0.008 Å
• α: 96.33 ± 0.007°
• β: 93.891 ± 0.007°
• γ: 103.119 ± 0.007°
• Cell volume: 2143.5 ± 1.4 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No