Information card for entry 4506116

Structure parameters

• Formula: C44 H22 Cl2 F24 N8 Pd2
• Calculated formula: C44 H22 Cl2 F24 N8 Pd2
• Title of publication: Role of Fluorine Interactions in the Solid State Structure and Photophysical Properties of 3,5-Disubstituted-2-(2′-pyridyl)pyrrole Pd(II) Complexes
• Authors of publication: Mastropietro, Teresa F.; Aprea, Alessia; La Deda, Massimo; Aiello, Iolinda; Ghedini, Mauro; Crispini, Alessandra
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2173
• a: 20.244 ± 0.012 Å
• b: 18.179 ± 0.009 Å
• c: 13.766 ± 0.007 Å
• α: 90°
• β: 99.48 ± 0.02°
• γ: 90°
• Cell volume: 4997 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0583
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No