Information card for entry 2215376

Structure parameters

• Chemical name: Azido{<i>N</i>,<i>N</i>'-bis[3-(2-nitrophenyl)prop-2- enylidene]ethylenediamine}(triphenylphosphine)copper(I) chloroform solvate
• Formula: C39 H34 Cl3 Cu N7 O4 P
• Calculated formula: C39 H34 Cl3 Cu N7 O4 P
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([N](CC[N]1=CC=Cc1c(N(=O)=O)cccc1)=CC=Cc1c(N(=O)=O)cccc1)N=N#N.ClC(Cl)Cl
• Title of publication: Azido{<i>N</i>,<i>N</i>'-bis[3-(2-nitrophenyl)prop-2-enylidene]ethylenediamine}(triphenylphosphine)copper(I) chloroform solvate
• Authors of publication: Habibi, Mohammad Hossein; Lalegani, Arash; Mokhtari, Reza; Suzuki, Takayoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2580 - m2580
• a: 9.102 ± 0.006 Å
• b: 14.328 ± 0.009 Å
• c: 16.41 ± 0.007 Å
• α: 109.51 ± 0.02°
• β: 103.29 ± 0.03°
• γ: 90.45 ± 0.03°
• Cell volume: 1955 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes