Information card for entry 4345518

Structure parameters

• Formula: C29 H21 Cl4 N3 Ni
• Calculated formula: C29 H21 Cl4 N3 Ni
• SMILES: c1c2ccccc2c2c3c(cc(c2)C)N2[Ni](Cl)([n]13)[n]1cc3ccccc3c3c1c2cc(c3)C.C(Cl)(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: 7.1408 ± 0.001 Å
• b: 13.36 ± 0.0017 Å
• c: 13.8752 ± 0.0013 Å
• α: 102.377 ± 0.008°
• β: 99.874 ± 0.009°
• γ: 97 ± 0.009°
• Cell volume: 1256.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No