Information card for entry 4063343

Structure parameters

• Formula: C100 H78 N16 O12 Re4
• Calculated formula: C100 H78 N16 O12 Re4
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])n3c4ccccc4[n]4c3c3n(c5ccccc5[n]13)[Re]4(C#[O])(C#[O])(C#[O])[n]1cn(Cc3c(Cn4c[n]2c2cc(C)c(C)cc42)cc2c(Cn4c[n](c5cc(C)c(C)cc45)[Re]4(C#[O])(C#[O])(C#[O])n5c6ccccc6[n]6c5c5n(c7ccccc7[n]45)[Re]6(C#[O])(C#[O])(C#[O])[n]4cn(C2)c2cc(C)c(C)cc42)c3)c2cc(C)c(C)cc12.Cc1ccccc1.Cc1ccccc1
• Title of publication: A Rigidity-Modulated Approach toward the Construction of Metallacycles from a Flexible Tetratopic Ligand
• Authors of publication: Chuan-Hung Chuang; Malaichamy Sathiyendiran; Yi-Hsiu Tseng; Jing-Yun Wu; Kung-Chung Hsu; Chen-Hsiung Hung; Yuh-Sheng Wen; Kuang-Lieh Lu
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 283
• a: 12.13 ± 0.004 Å
• b: 17.621 ± 0.005 Å
• c: 22.118 ± 0.007 Å
• α: 90°
• β: 102.221 ± 0.017°
• γ: 90°
• Cell volume: 4620 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No