Information card for entry 7716909

Structure parameters

• Formula: C31 H47 N4 Ni O2 P S2
• Calculated formula: C31 H47 N4 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: 17.6491 ± 0.001 Å
• b: 21.2342 ± 0.0013 Å
• c: 17.9976 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6744.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1475
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No