Information card for entry 4312916

Structure parameters

• Formula: C68 H64 Cu8 N8 O16
• Calculated formula: C68 H60 Cu8 N8 O16
• SMILES: [N]12[Cu]34([O]5[Cu]67(Oc8ccccc8C=[N]6CC5C1)[O]1c5c(C=[N]6[Cu]81([O]14c4ccccc4C=[N]4[Cu]1(O3)[O]1C(C4)C[N]3=Cc4ccccc4[O]4[Cu]913[O]13c%10ccccc%10C=[N]%10[Cu]3([O]8C(C6)C%10)O[Cu]361Oc1c(C=[N]3CC3C[N]8[Cu]4(Oc4ccccc4C=8)([O]63)O9)cccc1)O7)cccc5)Oc1c(C=2)cccc1
• Title of publication: Synthesis, Crystal Structure, and Magnetic Properties of an Alkoxo-Hydroxo-Bridged Octanuclear Copper(II) Complex Showing Chemically Significant Hydrogen-Bonding Interactions Involving a Metallamacrocyclic Core
• Authors of publication: Arindam Mukherjee; Indranil Rudra; Munirathinam Nethaji; Suryanarayanasastry Ramasesha; Akhil R. Chakravarty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 463 - 468
• a: 30.365 ± 0.003 Å
• b: 14.32 ± 0.002 Å
• c: 19.019 ± 0.002 Å
• α: 90°
• β: 125.33 ± 0.02°
• γ: 90°
• Cell volume: 6747 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No