Information card for entry 4343369

Structure parameters

• Formula: C76 H106 Al2 Cu4 N4 O4
• Calculated formula: C76 H106 Al2 Cu4 N4 O4
• SMILES: CC1=CC(C)=[N]([Al](N1c1c(cccc1C(C)C)C(C)C)([O]1[Cu]23[Cu]41[c]1(c(cc(cc1C)C)C)[Cu]14[O]([Al]4(N(C(=CC(C)=[N]4c4c(cccc4C(C)C)C(C)C)C)c4c(cccc4C(C)C)C(C)C)O)[Cu]31[c]12c(cc(cc1C)C)C)O)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Characterization of Heterobimetallic Al-O-Cu Complexes toward Models for Heterogeneous Catalysts on Metal Oxide Surfaces.
• Authors of publication: Li, Bin; Zhang, Chunyan; Yang, Ying; Zhu, Hongping; Roesky, Herbert W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6641 - 6646
• a: 12.763 ± 0.0007 Å
• b: 20.0764 ± 0.0012 Å
• c: 16.0499 ± 0.0008 Å
• α: 90°
• β: 110.349 ± 0.006°
• γ: 90°
• Cell volume: 3855.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No