Information card for entry 4129887

Structure parameters

• Formula: C51 H76 Cl2 F12 N2 P6 Pt2
• Calculated formula: C51 H76 Cl2 F12 N2 P6 Pt2
• Title of publication: Vapochromic Behavior of a Chair-Shaped Supramolecular Metallacycle with Ultra-Stability.
• Authors of publication: Jiang, Bo; Zhang, Jing; Ma, Jian-Qiu; Zheng, Wei; Chen, Li-Jun; Sun, Bin; Li, Chao; Hu, Bing-Wen; Tan, Hongwei; Li, Xiaopeng; Yang, Hai-Bo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 3
• Pages of publication: 738 - 741
• a: 11.9287 ± 0.0005 Å
• b: 15.9954 ± 0.0006 Å
• c: 19.3548 ± 0.0008 Å
• α: 96.666 ± 0.001°
• β: 107.76 ± 0.001°
• γ: 94.002 ± 0.001°
• Cell volume: 3471.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No