Information card for entry 7132617

Structure parameters

• Formula: C26 H36 N3 Ni O P
• Calculated formula: C26 H36 N3 Ni O P
• SMILES: [Ni]12(=C3N(C=CN3C3N2C(C=CC=3)=C[P]1(C(C)(C)C)C(C)(C)C)c1c(cc(cc1C)C)C)O
• Title of publication: Nitrous oxide activation by picoline-derived Ni-CNP hydrides.
• Authors of publication: Bermejo, José; Ortega-Lepe, Isabel; Santos, Laura L.; Rendón, Nuria; López-Serrano, Joaquín; Álvarez, Eleuterio; Suárez, Andrés
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 12
• Pages of publication: 1575 - 1578
• a: 21.355 ± 0.002 Å
• b: 21.355 ± 0.002 Å
• c: 11.6688 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5321.4 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No