Information card for entry 7040804

Structure parameters

• Formula: C15 H16 N2 O2 Ru
• Calculated formula: C15 H16 N2 O2 Ru
• SMILES: [Ru]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)NC(C)(C#N)CO)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Assessment of the nematocidal activity of metallocenyl analogues of monepantel.
• Authors of publication: Hess, Jeannine; Patra, Malay; Jabbar, Abdul; Pierroz, Vanessa; Konatschnig, Sandro; Spingler, Bernhard; Ferrari, Stefano; Gasser, Robin B.; Gasser, Gilles
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17662 - 17671
• a: 11.5527 ± 0.0011 Å
• b: 10.0629 ± 0.0008 Å
• c: 12.2428 ± 0.0013 Å
• α: 90°
• β: 102.808 ± 0.012°
• γ: 90°
• Cell volume: 1387.9 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No