Information card for entry 7033645

Structure parameters

• Formula: C38 H38 Cl10 N4 O6 Re2
• Calculated formula: C38 H38 Cl10 N4 O6 Re2
• SMILES: [Re]1(Cl)([n]2c(c3[n]1cc1[n]([Re](Cl)([n]4c1cc1c(c4)[C@@H]4C[C@H](C1)C4(C)C)(C#[O])(C#[O])C#[O])c3)cc1c(c2)[C@@H]2C[C@H](C1)C2(C)C)(C#[O])(C#[O])C#[O].ClCCl.ClCCl.ClCCl.ClCCl
• Title of publication: A pair of dinuclear Re(i) enantiomers: synthesis, crystal structures, chiroptical and ferroelectric properties.
• Authors of publication: Li, Xi-Li; Zhang, Zhiqiang; Zhang, Xue-Li; Kang, Jia-Long; Wang, Ai-Ling; Zhou, Liming; Fang, Shaoming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4180 - 4185
• a: 11.6966 ± 0.0007 Å
• b: 10.4541 ± 0.0004 Å
• c: 19.4795 ± 0.0015 Å
• α: 90°
• β: 93.697 ± 0.006°
• γ: 90°
• Cell volume: 2376.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No