Information card for entry 2232856

Structure parameters

• Chemical name: [1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>'](1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) perchlorate
• Formula: C39 H34 Cl Cu N2 O4 P2
• Calculated formula: C39 H34 Cl Cu N2 O4 P2
• SMILES: [Cu]12([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cccc3c1c1[n]2cccc1cc3.Cl(=O)(=O)(=O)[O-]
• Title of publication: [1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) perchlorate
• Authors of publication: Xiao, Ye-Lan; Zhou, Li-Li; Gao, Sen; Jin, Qiong-Hua; Zhang, Cun-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1713 - m1714
• a: 16.6548 ± 0.0015 Å
• b: 12.9238 ± 0.0012 Å
• c: 32.936 ± 0.003 Å
• α: 90°
• β: 90.126 ± 0.001°
• γ: 90°
• Cell volume: 7089.2 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes