Information card for entry 7040465

Structure parameters

• Formula: C52 H43 Cl N4 O2 P2 Pt
• Calculated formula: C52 H43 Cl N4 O2 P2 Pt
• Title of publication: Coordination versatility of p-hydroquinone-functionalized dibenzobarrelene-based PC(sp(3))P pincer ligands.
• Authors of publication: De-Botton, Sophie; Romm, Ronit; Bensoussan, Guillaume; Hitrik, Maria; Musa, Sanaa; Gelman, Dmitri
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 16040 - 16046
• a: 12.485 ± 0.001 Å
• b: 14.669 ± 0.002 Å
• c: 15.038 ± 0.002 Å
• α: 118.029 ± 0.002°
• β: 106.215 ± 0.002°
• γ: 90.297 ± 0.002°
• Cell volume: 2303.9 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No