Information card for entry 7121566

Structure parameters

• Formula: C26 H26 F6 N5 O P Pd
• Calculated formula: C26 H26 F6 N5 O P Pd
• Title of publication: Palladium(ii) N-heterocyclic allenylidene complexes with extended intercationic PdPd interactions and MMLCT phosphorescence.
• Authors of publication: Zou, Chao; Lin, Jinqiang; Suo, Sa; Xie, Mo; Chang, Xiaoyong; Lu, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 42
• Pages of publication: 5319 - 5322
• a: 6.5861 ± 0.0005 Å
• b: 12.6581 ± 0.001 Å
• c: 17.131 ± 0.0014 Å
• α: 109.005 ± 0.003°
• β: 99.386 ± 0.003°
• γ: 92.908 ± 0.004°
• Cell volume: 1323.96 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2463
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No