Information card for entry 4120857

Structure parameters

• Chemical name: 1H-4,7-diphenyl-1,10-phenanthrolinium chloride dichlormethane solvate
• Formula: C24.5 H18 Cl2 N2
• Calculated formula: C24.5 H18 Cl2 N2
• SMILES: ClCCl.n1c2c(ccc3c2[nH+]ccc3c2ccccc2)c(cc1)c1ccccc1.[Cl-]
• Title of publication: Bidentate Ligands on Osmium(VI) Nitrido Complexes Control Intracellular Targeting and Cell Death Pathways
• Authors of publication: Kogularamanan Suntharalingam; Timothy C. Johnstone; Peter M. Bruno; Wei Lin; Michael T. Hemann; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 14060 - 14063
• a: 13.8885 ± 0.0007 Å
• b: 19.6863 ± 0.0009 Å
• c: 17.3055 ± 0.0008 Å
• α: 90°
• β: 113.057 ± 0.001°
• γ: 90°
• Cell volume: 4353.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No