Information card for entry 7006307

Structure parameters

• Formula: C55 H50 Cu8 N20 O
• Calculated formula: C55 H50 Cu8 N20 O
• SMILES: [Cu]12345[Cu]678[Cu]9%10%11[Cu]%12%131[Cu]19[n]9n%12c(c%12[n]3c(ccc%12)c3n4[n]([Cu]4%126[Cu]62([Cu]4([n]2n6c(c4nc(ccc4)c4n5[n]%10c(c4)C)cc2C)[n]2n%12c(c4nc(ccc4)c4n8[n]%13c(c4)C)cc2C)[n]2n7c(c4nc(ccc4)c4n%11[n]1c(c4)C)cc2C)c(c3)C)cc9C.O=C(C)C
• 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: 11.9011 ± 0.0018 Å
• b: 14.426 ± 0.002 Å
• c: 18.41 ± 0.002 Å
• α: 80.163 ± 0.002°
• β: 73.035 ± 0.002°
• γ: 70.652 ± 0.002°
• Cell volume: 2842.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No