Information card for entry 2011952

Structure parameters

• Chemical name: trans-bis(hexafluoroantimonato-F)(phthalocyaninato- κ^4^N^29^,N^30^,N^31^,N^32^)copper(II)
• Formula: C32 H16 Cu F12 N8 Sb2
• Calculated formula: C32 H16 Cu F12 N8 Sb2
• SMILES: c12=Nc3n4[Cu]56[n]2c(c2c1cccc2)N=c1n6c(=Nc2c6ccccc6c(=Nc4c4ccccc34)[n]52)c2c1cccc2.F[Sb](F)(F)(F)(F)[F-].F[Sb](F)(F)(F)(F)[F-]
• Title of publication: <i>trans</i>-Bis(hexafluoroantimonato)(phthalocyaninato)copper(II)
• Authors of publication: Gardberg, Anna S.; Ibers, James A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 528 - 529
• a: 8.596 ± 0.004 Å
• b: 9.15 ± 0.005 Å
• c: 10.724 ± 0.005 Å
• α: 92.528 ± 0.009°
• β: 101.917 ± 0.009°
• γ: 99.127 ± 0.009°
• Cell volume: 812.3 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.343
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes