Information card for entry 4305335

Structure parameters

• Formula: C36 H60 Cu N10
• Calculated formula: C36 H60 Cu N10
• SMILES: C1(N([Cu]2([NH]=C(N=1)N(C)C)N(C(N(C)C)=NC(=[NH]2)N(C)C)c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)N(C)C
• Title of publication: Synthesis and Structures of Selected Triazapentadienate of Li, Mn, Fe, Co, Ni, Cu(I), and Cu(II) using 2,4-N,N'-Disubstituted 1,3,5-Triazapentadienate Anions as Ancillary Ligands: [N(Ar)C(NMe2)NC(NMe2)N(R)]- (Ar = Ph, 2,6-iPr2-C6H3; R = H, SiMe3)
• Authors of publication: Meisu Zhou; Yanping Song; Tao Gong; Hongbo Tong; Jianping Guo; Linhong Weng; Diansheng Liu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6692 - 6700
• a: 13.633 ± 0.003 Å
• b: 13.633 ± 0.003 Å
• c: 21.512 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3998 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No