Information card for entry 7716916

Structure parameters

• Formula: C27 H39 Cl N3 Ni O6 P S2
• Calculated formula: C27 H39 Cl N3 Ni O6 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: 12.5858 ± 0.0005 Å
• b: 19.6057 ± 0.0007 Å
• c: 14.6622 ± 0.0005 Å
• α: 90°
• β: 112.736 ± 0.004°
• γ: 90°
• Cell volume: 3336.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.256
• 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