Information card for entry 2215704

Structure parameters

• Chemical name: (Bromido)[<i>N</i>,<i>N</i>'-bis(2-nitrocinnamaldehyde)ethylenediamine] (triphenylphosphine)copper(I)
• Formula: C38 H33 Br Cu N4 O4 P
• Calculated formula: C38 H33 Br Cu N4 O4 P
• SMILES: Br[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](CC[N]1=CC=Cc1c(N(=O)=O)cccc1)=CC=Cc1c(N(=O)=O)cccc1
• Title of publication: (Bromido)[<i>N</i>,<i>N</i>'-bis(2-nitrocinnamaldehyde)ethylenediamine](triphenylphosphine)copper(I)
• 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: m2479 - m2479
• a: 31.288 ± 0.019 Å
• b: 15.486 ± 0.009 Å
• c: 17.381 ± 0.01 Å
• α: 90°
• β: 122.34 ± 0.02°
• γ: 90°
• Cell volume: 7115 ± 7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes