Information card for entry 4332525

Structure parameters

• Formula: C60 H76 Ag2 N6 O22 Re4 S4
• Calculated formula: C60 H76 Ag2 N6 O22 Re4 S4
• Title of publication: CH···π Interaction for Rhenium-Based Rectangles: An Interaction That Is Rarely Designed into a Host−Guest Pair
• Authors of publication: Manimaran, Bala.; Lai, Liang-Jian; Thanasekaran, P.; Wu, Jing-Yun; Liao, Rong-Tang; Tseng, Tien-Wen; Liu, Yen-Hsiang; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8070 - 8077
• a: 11.7531 ± 0.0001 Å
• b: 18.0464 ± 0.0002 Å
• c: 18.7263 ± 0.0002 Å
• α: 90°
• β: 106.564 ± 0.0005°
• γ: 90°
• Cell volume: 3807.04 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0616
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No