Information card for entry 7020135

Structure parameters

• Formula: C56 H44 Cl2 Cu F5 N2 O P2
• Calculated formula: C56 H44 Cl2 Cu F5 N2 O P2
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3ccccc3[P]1(c1ccccc1)c1ccccc1)[n]1c(cc(c1=C(c1n2c(cc1C)C)c1c(F)c(F)c(F)c(F)c1F)C)C.C(Cl)Cl
• Title of publication: Synthesis and characterisation of neutral mononuclear cuprous complexes based on dipyrrin derivatives and phosphine mixed-ligands.
• Authors of publication: Liu, Xiaohui; Nan, Hongmei; Sun, Wei; Zhang, Qikai; Zhan, Mingjian; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Cheng, Yanxiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 34
• Pages of publication: 10199 - 10210
• a: 12.7878 ± 0.001 Å
• b: 13.0429 ± 0.001 Å
• c: 17.5091 ± 0.0013 Å
• α: 87.853 ± 0.001°
• β: 72.373 ± 0.001°
• γ: 61.455 ± 0.001°
• Cell volume: 2424.8 ± 0.3 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No