Information card for entry 7008956

Structure parameters

• Formula: C20 H32 F6 N5 Ni P S
• Calculated formula: C20 H32 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: 10.938 ± 0.002 Å
• b: 14.318 ± 0.002 Å
• c: 15.938 ± 0.002 Å
• α: 90°
• β: 92.728 ± 0.012°
• γ: 90°
• Cell volume: 2493.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1318
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections: 0.2004
• Weighted residual factors for significantly intense reflections: 0.1707
• Goodness-of-fit parameter for all reflections: 0.904
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No