Information card for entry 7712852

Structure parameters

• Formula: C42 H40 F6 N2 O2 P2 Ru
• Calculated formula: C42 H40 F6 N2 O2 P2 Ru
• SMILES: [Ru]123456([c]7([cH]1[cH]2[c]3([cH]4[cH]57)C(C)C)C)([n]1c2ccccc2[nH]c1c1cccc(c1O6)OC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Studies on anticancer properties with varying co-ligands in Ru(II) arene benzimidazole system
• Authors of publication: Porwal, Pragti; Nayek, Sreshtha; Singh, Satyam; Sonawane, Avinash; Grabchev, Ivo; Ganguly, Rakesh; Mukhopadhyay, Suman
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.6585 ± 0.0007 Å
• b: 15.4887 ± 0.0008 Å
• c: 20.4525 ± 0.0011 Å
• α: 90°
• β: 92.16 ± 0.002°
• γ: 90°
• Cell volume: 4007.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No