Information card for entry 7712984

Structure parameters

• Formula: C40 H32 Cu N2 O2
• Calculated formula: C40 H32 Cu N2 O2
• SMILES: [Cu]123[O]=C(c4n3c(cc4)C(=C(c3ccc(C(=[O]1)c1ccc(cc1)C)n23)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Pd(II), Ni(II), and Cu(II) complexes of α,α'-ditolylmethanone dipyrroethene.
• Authors of publication: Pushpanandan, Poornenth; Behera, Kanhu Charan; Ravikanth, Mangalampalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 9.694 ± 0.005 Å
• b: 11.558 ± 0.006 Å
• c: 14.779 ± 0.008 Å
• α: 98.82 ± 0.02°
• β: 103.76 ± 0.018°
• γ: 97.86 ± 0.018°
• Cell volume: 1563.2 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1413
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No