Information card for entry 7239787

Structure parameters

• Formula: C25 H20 Cl2 N4 Pd
• Calculated formula: C25 H20 Cl2 N4 Pd
• Title of publication: On the photophysical properties of Ir^III, Pt^II, and Pd^II (phenylpyrazole) (phenyldipyrrin) complexes.
• Authors of publication: Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 6
• Pages of publication: 3217 - 3233
• a: 12.6868 ± 0.0004 Å
• b: 18.9392 ± 0.0006 Å
• c: 9.8058 ± 0.0003 Å
• α: 90°
• β: 108.94 ± 0.001°
• γ: 90°
• Cell volume: 2228.55 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No