Information card for entry 4327419

Structure parameters

• Formula: C47 H51 B Cu N8 O S2 Zn
• Calculated formula: C47 H51 B Cu N8 O S2 Zn
• SMILES: [Zn]1234[O]5[Cu]6(SC(=C7CCCC7=[N]6CC5C[N]3(Cn3[n]4ccc3)Cn3[n]2c(cc3C)C)SC)[n]2n1ccc2.[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: 18.882 ± 0.003 Å
• b: 25 ± 0.005 Å
• c: 9.6413 ± 0.0012 Å
• α: 90°
• β: 90.434 ± 0.011°
• γ: 90°
• Cell volume: 4551 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.2862
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No