Information card for entry 7036412

Structure parameters

• Formula: C34 H22 N4 O12 Re2
• Calculated formula: C34 H22 N4 O12 Re2
• SMILES: [Re]12(OC3C(O[Re]([N]=3c3ccccc3)([n]3ccc(C(=O)OCCOC(=O)c4cc[n]2cc4)cc3)(C#[O])(C#[O])C#[O])=[N]1c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Self-assembly of oxamidato bridged ester functionalised dirhenium metallastirrups: synthesis, characterisation and cytotoxicity studies.
• Authors of publication: Ramakrishna, Buthanapalli; Nagarajaprakash, R.; Veena, V.; Sakthivel, N.; Manimaran, Bala
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17629 - 17638
• a: 18.7142 ± 0.0004 Å
• b: 17.8406 ± 0.0003 Å
• c: 22.0857 ± 0.0006 Å
• α: 90°
• β: 111.555 ± 0.002°
• γ: 90°
• Cell volume: 6858.1 ± 0.3 ų
• Cell temperature: 120 ± 10 K
• Ambient diffraction temperature: 120 ± 10 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: 0.0435
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No