Information card for entry 7006308

Structure parameters

• Formula: C92 H60 Cu8 N20
• Calculated formula: C92 H60 Cu8 N20
• SMILES: n1c2cccc1c1n3[Cu]456[Cu]7([Cu]896[n]6n%10c(c%11cccc(c%12cc(c%13ccccc%13)[n]%13[Cu]%14%15[n]%16c(cc%17c%18cccc(n%18)c%18n([n]4c(c%18)c4ccccc4)[Cu]4%189n9[n](c(cc9c9nc(ccc9)c9n8[n]7c(c9)c7ccccc7)c7ccccc7)[Cu]7%15(n%12%13)[Cu]%144([n]4n(c2cc4c2ccccc2)[Cu]5%10%187)n%16%17)c2ccccc2)n%11)cc6c2ccccc2)[n]3c(c1)c1ccccc1
• Title of publication: Novel neutral octanuclear copper(I) complexes stabilized by pyridine linked bis(pyrazolate) ligands.
• Authors of publication: Zhou, Yongbo; Chen, Wanzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 44
• Pages of publication: 5123 - 5125
• a: 23.916 ± 0.015 Å
• b: 39.8 ± 0.03 Å
• c: 16.666 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15864 ± 18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1842
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No