Information card for entry 7036411

Structure parameters

• Formula: C42 H30 Cl4 N4 O12 Re2
• Calculated formula: C42 H30 Cl4 N4 O12 Re2
• SMILES: C(#[O])[Re]12(C#[O])([N](Cc3ccccc3)=C3C(=[N](Cc4ccccc4)[Re](O3)(C#[O])(C#[O])(C#[O])[n]3ccc(cc3)C(=O)Oc3c(OC(=O)c4cc[n]1cc4)cccc3)O2)C#[O].C(Cl)Cl.C(Cl)Cl
• 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: 11.2867 ± 0.0002 Å
• b: 14.108 ± 0.0003 Å
• c: 29.1927 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4648.43 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No