Information card for entry 7702550

Structure parameters

• Formula: C26 H30 N2 Ni O4 P2 S4
• Calculated formula: C26 H30 N2 Ni O4 P2 S4
• Title of publication: Reactivity of phosphonodithioato NiII complexes: solution equilibria, solid state studies and theoretical calculations on the adduct formation with some pyridine derivatives†
• Authors of publication: Aragoni, M. Carla; Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Graiff, Claudia; Isaia, Francesco; Lippolis, Vito; Tiripicchio, Antonio; Verani, Gaetano
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 18
• Pages of publication: 2671
• a: 6.944 ± 0.002 Å
• b: 9.295 ± 0.002 Å
• c: 12.503 ± 0.003 Å
• α: 75.7 ± 0.02°
• β: 76.59 ± 0.03°
• γ: 82.95 ± 0.03°
• Cell volume: 758.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No