Information card for entry 7019273

Structure parameters

• Formula: C14 H32 F6 N7 Ni P
• Calculated formula: C14 H32 F6 N7 Ni P
• SMILES: C1CC[N]2([Ni]34([N]1(C)CC[N]3(C)CCC[N]4(CC2)C)N=N#N)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis.
• Authors of publication: Evangelio, Emi; Rath, Nigam P.; Mirica, Liviu M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8010 - 8021
• a: 14.4194 ± 0.0015 Å
• b: 9.7386 ± 0.001 Å
• c: 14.4293 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2026.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No