Information card for entry 7005197

Structure parameters

• Formula: C36 H42 Cl2 Cu2 N6
• Calculated formula: C31 H43 Cl Cu N3
• Title of publication: Copper(II) and oxovanadium(v) complexes of hexaphyrin(1.0.1.0.0.0).
• Authors of publication: Sessler, Jonathan L.; Melfi, Patricia J.; Tomat, Elisa; Lynch, Vincent M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 629 - 632
• a: 22.653 ± 0.0003 Å
• b: 18.558 ± 0.0003 Å
• c: 17.246 ± 0.0003 Å
• α: 90°
• β: 128.203 ± 0.0006°
• γ: 90°
• Cell volume: 5697.32 ± 0.16 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 2.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No