Information card for entry 4132120

Structure parameters

• Common name: [Au3(triphos)2](Otf)3 4toluene, H2O
• Formula: C99 H100 Au3 F9 O10 P6 S3
• Calculated formula: C99 H100 Au3 F9 O10 P6 S3
• Title of publication: Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.
• Authors of publication: Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 24
• Pages of publication: 7533 - 7542
• a: 13.9411 ± 0.0007 Å
• b: 16.4211 ± 0.0008 Å
• c: 21.984 ± 0.002 Å
• α: 101.193 ± 0.002°
• β: 98.197 ± 0.002°
• γ: 96.808 ± 0.002°
• Cell volume: 4830.9 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0263
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No