Information card for entry 7011726

Structure parameters

• Formula: C80 H86 B2 F6 N18 Ni2 O6 S2
• Calculated formula: C80 H72 B2 F6 N18 Ni2 O6 S2
• Title of publication: Highly labile cationic tris-acetonitrile complexes, [TpRM(NCMe)3]OTf (M = Ni, Co; TpR: hydrotrispyrazolylborato, R = Ph, Me and iPr2): versatile precursors for TpR-containing nickel and cobalt complexes
• Authors of publication: Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 3529
• a: 12.1603 ± 0.0005 Å
• b: 15.7044 ± 0.0009 Å
• c: 11.5097 ± 0.0006 Å
• α: 105.678 ± 0.003°
• β: 100.386 ± 0.002°
• γ: 75.685 ± 0.002°
• Cell volume: 2035.3 ± 0.18 ų
• Cell temperature: 213.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.728
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No