Information card for entry 4076018

Structure parameters

• Formula: C17.5 H20.25 F6 Hg0.5 N3.75 O P
• Calculated formula: C17.5 H20.25 F6 Hg0.5 N3.75 O P
• 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: 21.634 ± 0.003 Å
• b: 34.632 ± 0.005 Å
• c: 14.445 ± 0.0019 Å
• α: 90°
• β: 126.142 ± 0.002°
• γ: 90°
• Cell volume: 8740 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0789
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No