Information card for entry 7000431

Structure parameters

• Formula: C27 H49 B2 F8 N3 Ni P2
• Calculated formula: C27 H49 B2 F8 N3 Ni P2
• Title of publication: Cationic and neutral NiII complexes containing a non-innocent PNP ligand: formation of alkyl and thiolate species
• Authors of publication: van der Vlugt, Jarl Ivar; Lutz, Martin; Pidko, Evgeny A.; Vogt, Dieter; Spek, Anthony L.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 6
• Pages of publication: 1016 - 1023
• a: 11.8057 ± 0.0001 Å
• b: 15.4958 ± 0.0002 Å
• c: 20.2129 ± 0.0002 Å
• α: 90°
• β: 112.512 ± 0.0008°
• γ: 90°
• Cell volume: 3415.96 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No