Information card for entry 1548384

Structure parameters

• Formula: C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4
• Calculated formula: C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4
• Title of publication: Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.
• Authors of publication: He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1481 - 1487
• a: 13.189 ± 0.003 Å
• b: 13.561 ± 0.003 Å
• c: 28.427 ± 0.006 Å
• α: 103.51 ± 0.03°
• β: 90.23 ± 0.03°
• γ: 118.57 ± 0.03°
• Cell volume: 4302 ± 2 ų
• Cell temperature: 173.15 ± 0.1 K
• Ambient diffraction temperature: 173.15 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No