Information card for entry 7009322

Structure parameters

• Formula: C51 H50 N2 O12 Re2
• Calculated formula: C51 H50 N2 O12 Re2
• SMILES: [Re]1([N](c2ccc(OCCCCCCCC)cc2)=Cc2c1cc(OC(=O)c1cc3[Re]([N](=Cc3cc1)c1ccc(OCCCCCCCC)cc1)(C#[O])(C#[O])(C#[O])C#[O])cc2)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of dinuclear complexes of rhenium(I) as potential metallomesogens
• Authors of publication: Guillevic, Marie-Andrée; Light, Mark E.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Bruce, Duncan W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1437
• a: 9.1822 ± 0.0002 Å
• b: 13.5268 ± 0.0002 Å
• c: 21.47 ± 0.0005 Å
• α: 74.1341 ± 0.0013°
• β: 86.9295 ± 0.0011°
• γ: 74.3192 ± 0.0013°
• Cell volume: 2469.05 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No