Information card for entry 7706127

Structure parameters

• Formula: C22 H13 Br2 Cl3 N2 Pd S2
• Calculated formula: C22 H13 Br2 Cl3 N2 Pd S2
• 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: 10.0437 ± 0.0004 Å
• b: 17.3496 ± 0.0007 Å
• c: 14.6181 ± 0.0006 Å
• α: 90°
• β: 109.325 ± 0.001°
• γ: 90°
• Cell volume: 2403.74 ± 0.17 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 7
• 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: 0.0323
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No