Information card for entry 7017188

Structure parameters

• Formula: C18 H19 B F4 N4 Ni
• Calculated formula: C18 H19 B F4 N4 Ni
• SMILES: [Ni]123[N]4CC[NH]3CC[N]2=Cc2c(N1c1c(C=4)cccc1)cccc2.[B](F)(F)(F)[F-]
• Title of publication: Synthesis and complexes of an N(4) Schiff-base macrocycle derived from 2,2'-iminobisbenzaldehyde.
• Authors of publication: Sanyal, Rajni; Cameron, Scott A.; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12277 - 12287
• a: 7.2737 ± 0.0015 Å
• b: 10.6471 ± 0.0018 Å
• c: 11.3778 ± 0.0015 Å
• α: 90°
• β: 94.181 ± 0.003°
• γ: 90°
• Cell volume: 878.8 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No