Information card for entry 4336709

Structure parameters

• Formula: C42 H34 N6 O3 Zn
• Calculated formula: C42 H34 N6 O3 Zn
• Title of publication: Molecular and Electronic Structures of Complexes Containing 1-(2-pyridylazo)-2-phenanthrol (PAPL): Revisiting a Redox-Active Ligand
• Authors of publication: Natasha Van Damme; Alan J. Lough; Serge I. Gorelsky; Martin T. Lemaire
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13021 - 13028
• a: 13.1546 ± 0.0012 Å
• b: 22.634 ± 0.002 Å
• c: 13.0599 ± 0.0011 Å
• α: 90°
• β: 119.539 ± 0.003°
• γ: 90°
• Cell volume: 3383 ± 0.5 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No