Information card for entry 7104559

Structure parameters

• Formula: C38 H22 N4 O10 Re2
• Calculated formula: C38 H22 N4 O10 Re2
• SMILES: C(#[O])[Re]12(C#[O])(Oc3c4c(c5ccccc5c5c4c(O[Re](C#[O])(C#[O])(C#[O])([n]4cn(cc4)Cc4ccc(Cn6c[n]1cc6)cc4)O5)c1c3cccc1)O2)C#[O]
• Title of publication: Neutral metallacyclic rotors.
• Authors of publication: Sathiyendiran, Malaichamy; Wu, Jing-Yun; Velayudham, Murugesan; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 25
• Pages of publication: 3795 - 3797
• a: 23.8693 ± 0.0006 Å
• b: 25.9927 ± 0.0007 Å
• c: 10.8655 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6741.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No