Information card for entry 4120714

Structure parameters

• Common name: MABII185
• Formula: C73 H82 F12 N6 O8 Pt2 S4
• Calculated formula: C73 H82 F12 N6 O8 Pt2 S4
• Title of publication: Pt-Catalyzed C-C Activation Induced by C-H Activation
• Authors of publication: Miriam A. Bowring; Robert G. Bergman; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13121 - 13128
• a: 12.8949 ± 0.0008 Å
• b: 13.1119 ± 0.0009 Å
• c: 23.4112 ± 0.0016 Å
• α: 90°
• β: 98.19 ± 0.003°
• γ: 90°
• Cell volume: 3917.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No