Information card for entry 4116951

Structure parameters

• Formula: C36 H30 B F4 N2 P2 Pd S2
• Calculated formula: C36 H30 B F4 N2 P2 Pd S2
• SMILES: [Pd]12(SC(=CS1)c1cnc3ccccc3n1)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Excited State Properties of Quinoxaline-Substituted Platinum 1,2-Enedithiolates
• Authors of publication: Sharada P. Kaiwar; Anthony Vodacek; Neil V. Blough; Robert S. Pilato
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 3311 - 3316
• a: 28.596 ± 0.005 Å
• b: 9.0299 ± 0.0014 Å
• c: 26.184 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6761.2 ± 1.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections: 0.1861
• Weighted residual factors for significantly intense reflections: 0.1646
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No