Information card for entry 7121128

Structure parameters

• Chemical name: Chlorido(7-chloro-8-hydroxyquinolinolato-5,6-dione-?N1,?O8)(?6-p-cymene)osmium(II)
• Formula: C20 H18 Cl5 N O3 Os
• Calculated formula: C20 H18 Cl5 N O3 Os
• SMILES: c1ccc2C(=O)C(=O)C(=C3c2[n]1[Os]12456([cH]7[cH]1[c]2(C)[cH]4[cH]5[c]67C(C)C)(O3)Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Quinoline-para-quinones and metals: coordination-assisted formation of quinoline-ortho-quinones.
• Authors of publication: Kubanik, Mario; Lam, Nelson Y. S.; Holtkamp, Hannah U.; Söhnel, Tilo; Anderson, Robert F.; Jamieson, Stephen M. F.; Hartinger, Christian G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 992 - 995
• a: 10.3571 ± 0.0006 Å
• b: 21.0903 ± 0.0012 Å
• c: 10.705 ± 0.0006 Å
• α: 90°
• β: 108.136 ± 0.003°
• γ: 90°
• Cell volume: 2222.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0329
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No