Information card for entry 4341222

Structure parameters

• Formula: C85 H110 Cu4 N8 O Si2
• Calculated formula: C85 H110 Cu4 N8 O Si2
• SMILES: [Cu]12[Cu]34[Cu]56[Cu]([N](=C(N5[Si](N3C(=[N]1c1c(cccc1C(C)C)C(C)C)c1ccccc1)(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)[N](=C(N6[Si](N4C(=[N]2c1c(cccc1C(C)C)C(C)C)c1ccccc1)(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C.O(CC)CC
• Title of publication: Ligand-controlled syntheses of copper(i) complexes with metal-metal interactions: crystal structure and relativistic density functional theory investigation.
• Authors of publication: Liu, Jun-Feng; Min, Xue; Lv, Jin-Yu; Pan, Fu-Xing; Pan, Qing-Jiang; Sun, Zhong-Ming
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11068 - 11074
• a: 17.0525 ± 0.0012 Å
• b: 21.5547 ± 0.0016 Å
• c: 47.094 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17310 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1883
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No