Information card for entry 7019253

Structure parameters

• Common name: [N(ArCNHPh)3Cu][CuCl]
• Formula: C46 H38 Cl2 Cu2 N4
• Calculated formula: C46 H38 Cl2 Cu2 N4
• SMILES: [Cu]12([Cu](Cl)Cl)[NH]=C(c3ccccc3N(c3c(C(c4ccccc4)=[NH]2)cccc3)c2c(cccc2)C(=[NH]1)c1ccccc1)c1ccccc1.c1cc(C)ccc1
• 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: 9.8 ± 0.003 Å
• b: 13.95 ± 0.004 Å
• c: 14.453 ± 0.004 Å
• α: 101.02 ± 0.009°
• β: 97.408 ± 0.009°
• γ: 94.634 ± 0.011°
• Cell volume: 1911.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.028
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No