Information card for entry 7017972

Structure parameters

• Formula: C49 H39 Cu N2 P2
• Calculated formula: C49 H39 Cu N2 P2
• SMILES: [Cu]1([n]2ccccc2c2n1c1c(c2)cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 20.386 ± 0.003 Å
• b: 21.293 ± 0.003 Å
• c: 9.1912 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3989.7 ± 0.9 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No