Information card for entry 4317117

Structure parameters

• Formula: C61 H44 N4 O10 Re2
• Calculated formula: C61 H44 N4 O10 Re2
• SMILES: [Re]12(Oc3c4c(O1)c1ccccc1c1O[Re](Oc(c41)c1ccccc31)([n]1cn(Cc3c4c(c(Cn5c[n]2c2c5cc(c(c2)C)C)cc3)cccc4)c2cc(c(cc12)C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].c1(ccccc1)C
• Title of publication: Quinonoid-Bridged Chair-Shaped Dirhenium(I) Metallacycles: Synthesis, Characterization, and Spectroelectrochemical Studies
• Authors of publication: Dibyendu Bhattacharya; Malaichamy Sathiyendiran; Jing-Yun Wu; Che-Hao Chang; Sung-Chou Huang; Yu-Ling Zeng; Ching-Yao Lin; P. Thanasekaran; Bo-Chao Lin; Chao-Ping Hsu; Gene-Hsiang Lee; Shie-Ming Peng; Kuang-Lieh Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10264 - 10272
• a: 13.4838 ± 0.0002 Å
• b: 13.8023 ± 0.0002 Å
• c: 16.2869 ± 0.0003 Å
• α: 96.2148 ± 0.0011°
• β: 111 ± 0.0009°
• γ: 108.103 ± 0.0009°
• Cell volume: 2606.03 ± 0.08 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: 0.0473
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No