Information card for entry 7121469

Structure parameters

• Formula: C78 H128 B4 Cl6 Cu12 F12 N28 P2 S12 W4
• Calculated formula: C78 H128 B4 Cl6 Cu12 F12 N28 P2 S12 W4
• Title of publication: Rectangle and [2]catenane from cluster modular construction.
• Authors of publication: Qiu, Xiao-Ting; Yao, Rui; Zhou, Wen-Fa; Liu, Meng-Di; Liu, Quan; Song, Ying-Lin; Young, David J.; Zhang, Wen-Hua; Lang, Jian-Ping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 33
• Pages of publication: 4168 - 4171
• a: 16.85 ± 0.007 Å
• b: 35.352 ± 0.014 Å
• c: 17.915 ± 0.007 Å
• α: 90°
• β: 116.535 ± 0.011°
• γ: 90°
• Cell volume: 9547 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 10
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.3111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No