Information card for entry 7011733

Structure parameters

• Formula: C42 H38 B Cl2 F3 N8 Ni O3 S
• Calculated formula: C42 H38 B Cl2 F3 N8 Ni O3 S
• SMILES: [Ni]123([n]4n(c(cc4c4ccccc4)C)[BH](n4[n]1c(cc4C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)[n]1c(cccc1)c1[n]3cccc1.ClCCl.S(=O)(=O)([O-])C(F)(F)F
• 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: 12.069 ± 0.001 Å
• b: 15.6895 ± 0.0008 Å
• c: 11.866 ± 0.001 Å
• α: 90.666 ± 0.001°
• β: 92.674 ± 0.002°
• γ: 103.041 ± 0.003°
• Cell volume: 2186 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No