Information card for entry 4076017

Structure parameters

• Formula: C64 H82 Ag2 F12 N8 O7 P2 S2
• Calculated formula: C64 H82 Ag2 F12 N8 O7 P2 S2
• Title of publication: Synthesis and Crystal Structures of Binuclear Metallocyclophane with N-Heterocyclic Carbene Linkage by the π−π Stacking Interaction
• Authors of publication: Wan, Xiang-Jian; Xu, Feng-Bo; Li, Qing-Shan; Song, Hai-Bin; Zhang, Zheng-Zhi
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 6066
• a: 11.563 ± 0.006 Å
• b: 14.122 ± 0.007 Å
• c: 14.828 ± 0.008 Å
• α: 62.189 ± 0.008°
• β: 75.631 ± 0.009°
• γ: 66.245 ± 0.008°
• Cell volume: 1954.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0869
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No