Information card for entry 2225761

Structure parameters

• Chemical name: [2-hydroxy-5-(2-{4-[(2-pyridylamino)sulfonyl]phenyl}diazenyl)benzoato- κ<i>O</i>]bis(triphenylphosphine-κ<i>P</i>)copper(I)
• Formula: C54 H43 Cu N4 O5 P2 S
• Calculated formula: C54 H43 Cu N4 O5 P2 S
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)OC(=[O]1)c1c(O)ccc(N=Nc2ccc(S(=O)(=O)N=c3[nH]cccc3)cc2)c1
• Title of publication: (Sulfasalazinato-κ<i>O</i>)bis(triphenylphosphine-κ<i>P</i>)copper(I)
• Authors of publication: Huang, Ke-Bin; Tan, Yan-Shu; Song, Xiao-Yan; Liu, Yan-Cheng; Chen, Zhen-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m549 - m550
• a: 14.0126 ± 0.0005 Å
• b: 14.2236 ± 0.0012 Å
• c: 14.2302 ± 0.0004 Å
• α: 81.068 ± 0.011°
• β: 61.606 ± 0.007°
• γ: 75.011 ± 0.01°
• Cell volume: 2408.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes