Information card for entry 7716911

Structure parameters

• Formula: C43 H67 B F4 N3 Ni O2 P S2
• Calculated formula: C43 H67 B F4 N3 Ni O2 P S2
• Title of publication: Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation
• Authors of publication: Alvarez-Miguel, Lucia; del Carmen-Rodríguez, Clara; Valle, Maria; Alvarez, Celedonio M.; Martín Álvarez, Jose Miguel; García-Rodríguez, Raúl; Miguel, Daniel
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.1019 ± 0.0004 Å
• b: 14.9066 ± 0.0006 Å
• c: 17.7025 ± 0.001 Å
• α: 82.659 ± 0.004°
• β: 89.705 ± 0.004°
• γ: 86.302 ± 0.004°
• Cell volume: 2377.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No