Information card for entry 4332524

Structure parameters

• Formula: C76 H86 N4 O16 Re4 S4
• Calculated formula: C76 H86 N4 O16 Re4 S4
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[n]3ccc(cc3)c3cc[n](cc3)[Re]3(C#[O])(C#[O])(C#[O])[S](CCCC)[Re](C#[O])(C#[O])(C#[O])([n]4ccc(cc4)c4cc[n]([Re](C#[O])(C#[O])(C#[O])([S]1CCCC)[S]2CCCC)cc4)[S]3CCCC.O=C(C)C.O=C(C)C.c1cc2cccc3ccc4c(c23)c1ccc4.O=C(C)C.O=C(C)C
• 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: 10.4003 ± 0.0003 Å
• b: 22.294 ± 0.0006 Å
• c: 17.3708 ± 0.0005 Å
• α: 90°
• β: 99.0816 ± 0.0018°
• γ: 90°
• Cell volume: 3977.2 ± 0.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• 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: 0.0796
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No