Information card for entry 7008955

Structure parameters

• Formula: C17 H30 F6 N5 Ni P S
• Calculated formula: C17 H30 F6 N5 Ni P S
• Title of publication: Synthesis, characterization and crystal structures of the first pentacoordinate nickel(II) complexes containing N,S-donor ligands
• Authors of publication: M. Dolores Santana; Gabriel García; Antonio Rufete; M. Carmen Ramírez de Arellano; Gregorio López
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 619 - 625
• a: 11.202 ± 0.003 Å
• b: 24.771 ± 0.007 Å
• c: 16.585 ± 0.005 Å
• α: 90°
• β: 93.1 ± 0.02°
• γ: 90°
• Cell volume: 4595 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1452
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No