Information card for entry 4305333

Structure parameters

• Formula: C24 H36 N10 Ni
• Calculated formula: C24 H36 N10 Ni
• SMILES: CN(C1=NC(=[NH][Ni]2(NC(=NC(=[N]2c2ccccc2)N(C)C)N(C)C)N1c1ccccc1)N(C)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: 6.1011 ± 0.0015 Å
• b: 9.633 ± 0.002 Å
• c: 11.585 ± 0.003 Å
• α: 81.911 ± 0.003°
• β: 78.156 ± 0.003°
• γ: 75.471 ± 0.003°
• Cell volume: 642.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No