Information card for entry 4310689

Structure parameters

• Formula: C84 H88 Cl4 Cu8 N36 O44
• Calculated formula: C84 H88 Cl4 Cu8 N36 O44
• SMILES: c1c2C(C)=[N]3N=C4c5[n]6c(cc(c5)Cl)C5=N[N]7=C(C)c8[n](cccc8)[Cu]89%107[O]5[Cu]576([O]4[Cu]3([n]2ccc1)(ON(=O)=O)ON(=O)=O)[N](N=C1[O]7[Cu]234([n]6c(C7=N[N]%11=C(c%12cccc[n]%12[Cu]%11([O]37)(ON(=O)=O)ON(=O)=O)C)cc(cc16)Cl)[N](N=C1[O]4[Cu]346([n]7c(C%11=N[N]%12=C(c%13cccc[n]%13[Cu]%12([O]4%11)(ON(=O)=O)ON(=O)=O)C)cc(cc17)Cl)[N](N=C([O]%106)c1[n]8c(C4=N[N]6=C(c7cccc[n]7[Cu]6([O]94)(ON(=O)=O)ON(=O)=O)C)cc(c1)Cl)=C(C)c1[n]3cccc1)=C(C)c1[n]2cccc1)=C(C)c1[n]5cccc1.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Octanuclear and Nonanuclear Supramolecular Copper(II) Complexes with Linear "Tritopic" Ligands: Structural and Magnetic Studies
• Authors of publication: Victoria A. Milway; Virginie Niel; Tareque S. M. Abedin; Zhiqiang Xu; Laurence K. Thompson; Hilde Grove; David O. Miller; Stewart R. Parsons
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1874 - 1884
• a: 21.2562 ± 0.0008 Å
• b: 21.2562 ± 0.0008 Å
• c: 12.7583 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5764.5 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No