Information card for entry 7122353

Structure parameters

• Chemical name: 1R
• Formula: C14 H5 Au F5 N O2
• Calculated formula: C14 H5 Au F5 N O2
• Title of publication: A gold isocyanide complex with a pendant carboxy group: orthogonal molecular arrangements and hypsochromically shifted luminescent mechanochromism.
• Authors of publication: Seki, Tomohiro; Kobayashi, Koh; Mashimo, Takaki; Ito, Hajime
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 79
• Pages of publication: 11136 - 11139
• a: 13.4101 ± 0.0009 Å
• b: 7.7601 ± 0.0005 Å
• c: 13.0837 ± 0.0012 Å
• α: 90°
• β: 97.493 ± 0.007°
• γ: 90°
• Cell volume: 1349.91 ± 0.18 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No