Information card for entry 7236892

Structure parameters

• Formula: C222 H229 Ag12 Cl2 Cu2 O8 P8
• Calculated formula: C222 H229 Ag12 Cl2 Cu2 O8 P8
• Title of publication: Phosphorescent mechanochromism through the contraction of Ag12Cu2 clusters in tetradecanuclear copper‒silver acetylide complexes
• Authors of publication: Zhang, Xu; Wang, Jin-Yun; Qiao, Di; Chen, Zhong-Ning
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 34
• Pages of publication: 8782
• a: 20.126 ± 0.004 Å
• b: 48.515 ± 0.008 Å
• c: 25.912 ± 0.005 Å
• α: 90°
• β: 103.847 ± 0.003°
• γ: 90°
• Cell volume: 24566 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No