Information card for entry 4132119

Structure parameters

• Common name: [Au6(triphos)4](SbF6)5Cl.(toluene)7
• Formula: C185 H188 Au6 Cl F30 P12 Sb5
• Calculated formula: C185 H188 Au6 Cl F30 P12 Sb5
• 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: 35.3414 ± 0.0019 Å
• b: 33.4913 ± 0.0016 Å
• c: 16.0576 ± 0.0008 Å
• α: 90°
• β: 92.322 ± 0.001°
• γ: 90°
• Cell volume: 18990.6 ± 1.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0545
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No