Information card for entry 7011721

Structure parameters

• Formula: C34 H36 B Cl N6 Ni O
• Calculated formula: C34 H36 B Cl N6 Ni O
• SMILES: [Ni]12(Cl)([O]3CCCC3)[n]3n(c(cc3c3ccccc3)C)[BH](n3[n]1c(cc3C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1
• 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: 12.09 ± 0.002 Å
• b: 12.187 ± 0.001 Å
• c: 11.344 ± 0.001 Å
• α: 93.563 ± 0.01°
• β: 91.33 ± 0.01°
• γ: 78.071 ± 0.01°
• Cell volume: 1632.1 ± 0.3 ų
• Cell temperature: 298 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: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No