Information card for entry 7011735

Structure parameters

• Formula: C61 H61 B Cl2 F3 N6 Ni O3 P2 S
• Calculated formula: C61 H52 B Cl2 F3 N6 Ni O3 P2 S
• 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: 14.009 ± 0.004 Å
• b: 17.556 ± 0.003 Å
• c: 12.878 ± 0.004 Å
• α: 108.24 ± 0.01°
• β: 83.431 ± 0.004°
• γ: 109.361 ± 0.009°
• Cell volume: 2837.8 ± 1.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.2535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.696
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No