Information card for entry 2000099

Structure parameters

• Formula: C94.5 H96.5 B2 N6.5 Ni2 O7 S2
• Calculated formula: C97 H82 B2 N6.5 Ni2 O4.5 S2
• Title of publication: Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species
• Authors of publication: Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Journal issue: 33
• Pages of publication: 8053 - 8066
• a: 18.128 ± 0.007 Å
• b: 20.224 ± 0.007 Å
• c: 26.221 ± 0.009 Å
• α: 101.3 ± 0.02°
• β: 104.07 ± 0.02°
• γ: 102.37 ± 0.02°
• Cell volume: 8790.67 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0576
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No