Information card for entry 7038826

Structure parameters

• Common name: tbu-br-salph-ni
• Chemical name: N-(5-tert-Butylsalicyliden)-N'-(5-bromsalicyliden)-phenylendiaminatonickel(II)
• Formula: C25 H22 Br Cl3 N2 Ni O2
• Calculated formula: C25 H22 Br Cl3 N2 Ni O2
• SMILES: C(Cl)(Cl)Cl.c12ccccc1[N]1=Cc3cc(ccc3O[Ni]31[N]2=Cc1cc(ccc1O3)Br)C(C)(C)C
• Title of publication: Direct C-C coupling of two Ni-salphen complexes to yield dinickel-disalphen complexes with symmetric and non-symmetric substitution-patterns.
• Authors of publication: Bugenhagen, B. E. C.; Prosenc, M. H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7460 - 7468
• a: 13.3441 ± 0.0002 Å
• b: 17.1747 ± 0.0003 Å
• c: 23.5777 ± 0.0004 Å
• α: 84.506 ± 0.001°
• β: 76.205 ± 0.001°
• γ: 76.103 ± 0.001°
• Cell volume: 5089.85 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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 all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No