Information card for entry 4345513

Structure parameters

• Common name: (2-methyl-4-phenanthridinyl)(8-quinolinyl)amine
• Formula: C23 H17 N3
• Calculated formula: C23 H17 N3
• SMILES: c1c2ccccc2c2c(c(cc(c2)C)Nc2c3c(cccn3)ccc2)n1
• Title of publication: Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.
• Authors of publication: Mandapati, Pavan; Giesbrecht, Patrick K.; Davis, Rebecca L.; Herbert, David E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3674 - 3685
• a: 7.6896 ± 0.0015 Å
• b: 18.267 ± 0.004 Å
• c: 12.396 ± 0.003 Å
• α: 90°
• β: 98.19 ± 0.03°
• γ: 90°
• Cell volume: 1723.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No