Information card for entry 7706128

Structure parameters

• Formula: C52 H40 Cl8 N4 O4 Pd2 S4
• Calculated formula: C52 H40 Cl8 N4 O4 Pd2 S4
• Title of publication: Developing strong NIR absorption materials through linear planar π-conjugated cyclopalladated complex dimers.
• Authors of publication: Luo, Qi; Zhang, Jing; Xia, Jiangbin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 1344 - 1348
• a: 9.1706 ± 0.0004 Å
• b: 10.5573 ± 0.0005 Å
• c: 14.991 ± 0.0007 Å
• α: 77.438 ± 0.002°
• β: 76.466 ± 0.002°
• γ: 71.907 ± 0.002°
• Cell volume: 1324.73 ± 0.11 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.045
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No