Information card for entry 7114921

Structure parameters

• Formula: C73 H62.5 Cl2 F6 P5 Pt2 S2
• Calculated formula: C73 H61 Cl2 F6 P5 Pt2 S2
• Title of publication: A rapid screening, ‘combinatorial-type’ survey of the metalloligand chemistry of Pt2(PPh3)4(μ-S)2 using electrospray mass spectrometry
• Authors of publication: Fong, S.-W. Audi; Vittal, Jagadese J.; Hor, T. S. Andy; Henderson, William; Oliver, Allen G.; Rickard, Clifton E. F.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 421
• a: 21.3742 ± 0.0006 Å
• b: 18.7308 ± 0.0006 Å
• c: 17.1833 ± 0.0005 Å
• α: 90°
• β: 90.025 ± 0.001°
• γ: 90°
• Cell volume: 6879.4 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No