Information card for entry 4345515

Structure parameters

• Formula: C24 H17 Cl4 N3 Ni
• Calculated formula: C24 H17 Cl4 N3 Ni
• SMILES: [Ni]12(N(c3cc(cc4c3[n]1cc1c4cccc1)C)c1c3[n]2cccc3ccc1)Cl.ClC(Cl)Cl
• 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: 12.403 ± 0.003 Å
• b: 8.0029 ± 0.0016 Å
• c: 22.544 ± 0.005 Å
• α: 90°
• β: 92.99 ± 0.03°
• γ: 90°
• Cell volume: 2234.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No