Information card for entry 7019252

Structure parameters

• Formula: C39 H30 N4
• Calculated formula: C39 H30 N4
• SMILES: c1(ccccc1C(c1ccccc1)=N)N(c1ccccc1C(c1ccccc1)=N)c1ccccc1C(c1ccccc1)=N
• Title of publication: Complexes of Cu(i) supported by a tris(ketimine) tripod.
• Authors of publication: Scepaniak, Jeremiah J.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 7859 - 7861
• a: 14.0041 ± 0.0007 Å
• b: 11.7778 ± 0.0006 Å
• c: 34.924 ± 0.0018 Å
• α: 90°
• β: 91.959 ± 0.003°
• γ: 90°
• Cell volume: 5756.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No