Information card for entry 4327418

Structure parameters

• Formula: C47 H51 B Cu2 N8 O S2
• Calculated formula: C47 H51 B Cu2 N8 O S2
• SMILES: [Cu]123SC(=C4CCCC4=[N]2CC2[O]3[Cu]34(n5[n]1ccc5)[n]1n(C[N]3(C2)Cn2[n]4ccc2)c(C)cc1C)SC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structure, Magnetism, and Spectroscopic Properties of Heterobinuclear Copper(II)-Zinc(II) Complexes and Their Copper(II)-Copper(II) Analogues in Asymmetric Ligand Environments
• Authors of publication: Dipesh Ghosh; Nabanita Kundu; Goutam Maity; Ki-Young Choi; Andrea Caneschi; Akira Endo; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6015 - 6023
• a: 18.988 ± 0.003 Å
• b: 24.976 ± 0.006 Å
• c: 9.6202 ± 0.0011 Å
• α: 90°
• β: 91.191 ± 0.011°
• γ: 90°
• Cell volume: 4561.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No