Information card for entry 7015744

Structure parameters

• Formula: C36 H40 Cl4 Cu4 N28 O24
• Calculated formula: C36 H32 Cl4 Cu4 N28 O24
• SMILES: C12=N[N]3=C(c4cccc[n]4[Cu]453[O]1[Cu]13([n]6c2nc[nH]6)[N](=C(c2cccc[n]12)N)N=C1c2[n]([Cu]67([N](=C(c8cccc[n]68)N)N=C6c8[n]([nH]cn8)[Cu]89([O]76)[N](=C(c6cccc[n]86)N)N=C(c6[n]4[nH]cn6)[O]59)[O]31)[nH]cn2)N.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.O
• Title of publication: Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs.
• Authors of publication: Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4623 - 4635
• a: 14.7586 ± 0.0016 Å
• b: 14.7586 ± 0.0016 Å
• c: 27.279 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5941.8 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2364
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No