Information card for entry 7003848

Structure parameters

• Formula: C52 H56 Cu4 N32 O16
• Calculated formula: C52 H56 Cu4 N32 O16
• SMILES: c1[n]2c(C3=N[N]4[Cu]56([O]3[Cu]372[N](=C(c2cccc[n]32)N)N=C2c3c(C)[nH]c[n]3[Cu]38([N](=C(c9cccc[n]39)N)N=C3c9c(C)[nH]c[n]9[Cu]9%10([O]83)[N](=C(c3cccc[n]93)N)N=C(c3c(C)[nH]c[n]53)[O]6%10)[O]72)[n]2c(C=4N)cccc2)c(C)[nH]1.N(=O)(=O)[O-].N#CC.N(=O)(=O)[O-].N#CC.N(=O)(=O)[O-].N(=O)(=O)[O-].N#CC.N#CC
• Title of publication: Complete and ‘incomplete’ [2 ×2] grids by self-assembly with a sterically hindered ditopic imidazole hydrazone ligand—structural and magnetic studies
• Authors of publication: Dawe, Louise N.; Thompson, Laurence K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3610 - 3618
• a: 18.9374 ± 0.0011 Å
• b: 18.9374 ± 0.0011 Å
• c: 18.2748 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6553.8 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No