Information card for entry 4318371

Structure parameters

• Formula: C56 H71 Cl3 Cu4 N10 O21
• Calculated formula: C56 H69 Cl3 Cu4 N10 O21
• SMILES: [Cu]123([O]4[Cu]56([O]=C(O1)C)[N](Cc1c4c(cc(C)c1)C=[N]2CC[N]3(C)C)(Cc1[n]5cccc1)Cc1[n]6cccc1)[O]=C(O[Cu]12[N](=Cc3cc(C)cc4c3[O]1[Cu]13(OC(=O)C)[N](C4)(Cc4[n]1cccc4)Cc1[n]3cccc1)CC[N]2(C)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Site Specificity of Metal Ions in Heterodinuclear Complexes Derived from an "End-Off" Compartmental Ligand
• Authors of publication: Koji Abe; Kanako Matsufuji; Masaaki Ohba; Hisashi Ōkawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4461 - 4467
• a: 15.397 ± 0.005 Å
• b: 12.626 ± 0.007 Å
• c: 34.955 ± 0.006 Å
• α: 90°
• β: 100.1 ± 0.02°
• γ: 90°
• Cell volume: 6690 ± 4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No