Information card for entry 7029244

Structure parameters

• Formula: C64 H80 Cu8 N4 P4 S4
• Calculated formula: C64 H80 Cu8 N4 P4 S4
• SMILES: [Cu]12345[Cu]6789[Cu]%10%11%12%13[Cu]%14%15%16%17[Cu]%18%19%20%21[Cu]%22%231([Cu]6%10%18([C]%12(=P([S]%16%20)(C(C)C)C(C)C)c1[n]9c6c(cc1)cccc6)[C]%23(=P([S]37)(C(C)C)C(C)C)c1[n]%21c3c(cc1)cccc3)[Cu]2%11%14([C]%22(=P([S]%15%19)(C(C)C)C(C)C)c1[n]5c2c(cc1)cccc2)[C]%13(=P([S]48)(C(C)C)C(C)C)c1[n]%17c2c(cc1)cccc2
• Title of publication: Synthesis and characterization of an octanuclear copper(I) methanediide cluster.
• Authors of publication: Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 63 - 66
• a: 12.9613 ± 0.0012 Å
• b: 12.9225 ± 0.001 Å
• c: 46.063 ± 0.004 Å
• α: 90°
• β: 90.277 ± 0.002°
• γ: 90°
• Cell volume: 7715.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No