Information card for entry 4087736

Structure parameters

• Formula: C32 H34 Cl2 O4 Ru2
• Calculated formula: C32 H34 Cl2 O4 Ru2
• SMILES: c12cc3c(c(c1O[Ru]14567([c]8([cH]7[cH]6[c]5([cH]4[cH]18)C)C(C)C)(Cl)O2)c1ccccc1)O[Ru]12456([c]7([cH]1[cH]2[c]4([cH]5[cH]67)C)C(C)C)(Cl)O3
• Title of publication: Tunable Arene Ruthenium Metallaprisms to Transport, Shield, and Release Porphin in Cancer Cells
• Authors of publication: Garci, Amine; Mbakidi, Jean-Pierre; Chaleix, Vincent; Sol, Vincent; Orhan, Ersin; Therrien, Bruno
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 4138
• a: 14.6663 ± 0.0004 Å
• b: 11.2056 ± 0.0003 Å
• c: 18.1049 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2975.44 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No