Information card for entry 7105160

Structure parameters

• Chemical name: (2-pyridylmethyl)tert-butylamine nickel (II) bis(imino(phenyl)methyl)amide perchlorate
• Formula: C30 H33 Cl N6 Ni O4
• Calculated formula: C30 H33 Cl N6 Ni O4
• SMILES: [Ni]12(NC(=NC(=[NH]1)c1ccccc1)c1ccccc1)[n]1ccccc1CN(C(C)(C)C)Cc1[n]2cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Condensation of nitriles with amides promoted by coordinatively unsaturated bis-nickel(II)-hydroxy complex: a new route to alkyl- and aryl-imidoylamidines.
• Authors of publication: Wikstrom, Jeffrey P; Filatov, Alexander S; Rybak-Akimova, Elena V
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 424 - 426
• a: 12.325 ± 0.0009 Å
• b: 17.139 ± 0.0012 Å
• c: 14.1153 ± 0.001 Å
• α: 90°
• β: 104.325 ± 0.001°
• γ: 90°
• Cell volume: 2889 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No