Information card for entry 7005198

Structure parameters

• Formula: C44 H53 N6 O3 V
• Calculated formula: C44 H53 N6 O3 V
• 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: 12.696 ± 0.0005 Å
• b: 12.819 ± 0.0005 Å
• c: 13.91 ± 0.0006 Å
• α: 74.891 ± 0.002°
• β: 65.956 ± 0.0019°
• γ: 81.427 ± 0.0019°
• Cell volume: 1993.6 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1803
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No