Information card for entry 2009209

Structure parameters

• Formula: C45 H58 Cu4 N2 O Se6
• Calculated formula: C45 H58 Cu4 N2 O Se6
• SMILES: [Se]1([Cu]2345[Cu]678([Se]2c2ccccc2)[Cu]32([Se]6c3ccccc3)([Se]4c3ccccc3)[Cu]157([Se]8c1ccccc1)[Se]2c1ccccc1)c1ccccc1.[N+](C)(C)(C)C.[N+](C)(C)(C)C.OC
• Title of publication: A tetranuclear copper(I) cluster complex with a benzeneselenolate ligand, (Me~4~N)~2~[Cu~4~(SePh)~6~]^.^CH~3~OH
• Authors of publication: Jin, Xianglin; Tang, Kaluo; Long, Yaoling; Tang, Youqi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1799 - 1800
• a: 12.346 ± 0.003 Å
• b: 20.167 ± 0.007 Å
• c: 11.269 ± 0.003 Å
• α: 97.49 ± 0.02°
• β: 101.12 ± 0.02°
• γ: 106.44 ± 0.02°
• Cell volume: 2589.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No