Information card for entry 7715157

Structure parameters

• Formula: C31 H36 Cl N2 O4 Re
• Calculated formula: C31 H36 Cl N2 O4 Re
• SMILES: [Re]1(Cl)([n]2c(c3[n]1c1C[C@H]4[C@](Cc1c(c3)C)([C@@H]1[C@H]([C@H]3[C@](CC1)([C@@H](O)CC3)C)CC4)C)cccc2)(C#[O])(C#[O])C#[O]
• Title of publication: Organometallic Ru(II), Rh(III) and Re(I) complexes of sterane-based bidentate ligands: synthesis, solution speciation, interaction with biomolecules and anticancer activity.
• Authors of publication: Pivarcsik, Tamás; Kiss, Márton A; Rapuš, Uroš; Kljun, Jakob; Spengler, Gabriella; Frank, Éva; Turel, Iztok; Enyedy, Éva A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 4984 - 5000
• a: 8.9975 ± 0.0003 Å
• b: 12.9898 ± 0.0004 Å
• c: 13.9898 ± 0.0005 Å
• α: 110.232 ± 0.003°
• β: 107.742 ± 0.003°
• γ: 91.611 ± 0.003°
• Cell volume: 1444.82 ± 0.09 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No