Information card for entry 7004634

Structure parameters

• Formula: C118.5 H72 N18 O26 Re6
• Calculated formula: C118.5 H72 N18 O26 Re6
• Title of publication: Unusual face-to-face π‒π stacking interactions within an indigo-pillared M3(tpt)-based triangular metalloprism
• Authors of publication: Wu, Jing-Yun; Chang, Che-Hao; Thanasekaran, P.; Tsai, Chen-Chuan; Tseng, Tien-Wen; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6110 - 6112
• a: 17.2626 ± 0.0006 Å
• b: 20.1493 ± 0.0007 Å
• c: 20.6851 ± 0.0007 Å
• α: 116.094 ± 0.001°
• β: 109.629 ± 0.001°
• γ: 97.093 ± 0.001°
• Cell volume: 5764.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1204
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No