Information card for entry 7011715

Structure parameters

• Formula: C38 H38.5 B F3 N9.5 Ni O3 S
• Calculated formula: C38 H38.5 B F3 N9.5 Ni O3 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: 12.2099 ± 0.0002 Å
• b: 30.7377 ± 0.0006 Å
• c: 11.3322 ± 0.0002 Å
• α: 95.549 ± 0.001°
• β: 103.068 ± 0.001°
• γ: 86.7415 ± 0.0006°
• Cell volume: 4120.78 ± 0.13 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: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.988
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No