Information card for entry 1551835

Structure parameters

• Formula: C35 H32 Cl6 N2 O2 Os S
• Calculated formula: C35 H32 Cl6 N2 O2 Os S
• SMILES: Cc1ccc(cc1)S(=O)(=O)N1[Os]23456(N[C@H]([C@@H]1c1ccccc1)c1ccccc1)[c]1(c7ccccc7)[cH]2[cH]3[cH]4[cH]5[cH]61.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells
• Authors of publication: James P. C. Coverdale; Isolda Romero-Canelon; Carlos Sanchez-Cano; Guy J. Clarkson; Abraha Habtemariam; Martin Wills; Peter J. Sadler
• Journal of publication: Nature Chemistry
• Year of publication: 2018
• Journal volume: 10
• Pages of publication: 347 - 354
• a: 7.95923 ± 0.00012 Å
• b: 16.394 ± 0.0003 Å
• c: 26.878 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3507.14 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No