Information card for entry 7005522

Structure parameters

• Formula: C42 H26 N8 O6 Re2
• Calculated formula: C42 H26 N8 O6 Re2
• SMILES: [Re]12(n3c4ccccc4[n]4[Re]([n]5c(n1c1ccccc51)c34)([n]1c3ccccc3n(c1)Cc1ccccc1Cn1c3ccccc3[n]2c1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Rigidity-modulated conformation control: a strategy for incorporating flexible building motifs into metallacycles
• Authors of publication: Sathiyendiran, Malaichamy; Chang, Che-Hao; Chuang, Chuan-Hung; Luo, Tzuoo-Tsair; Wen, Yuh-Sheng; Lu, Kuang-Lieh
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 19
• Pages of publication: 1872
• a: 18.823 ± 0.0001 Å
• b: 10.481 ± 0.0001 Å
• c: 21.433 ± 0.0002 Å
• α: 90°
• β: 114.59°
• γ: 90°
• Cell volume: 3844.91 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No