Information card for entry 7720456

Structure parameters

• Formula: C44 H39.4 Cl2 O2.2 P3 Pt S2
• Calculated formula: C44 H39.4 Cl2 O2.2 P3 Pt S2
• Title of publication: Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.
• Authors of publication: Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1637 - 1641
• a: 11.1647 ± 0.0001 Å
• b: 13.2084 ± 0.0001 Å
• c: 14.5162 ± 0.0002 Å
• α: 77.314 ± 0.001°
• β: 87.495 ± 0.001°
• γ: 76.672 ± 0.001°
• Cell volume: 2032.11 ± 0.04 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0293
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No