Information card for entry 7038824

Structure parameters

• Common name: ditBuBrSalphNi
• Chemical name: N-(3,5-ditert-Butylsalicyliden)-N'-(5-pinacolboronylsalicyliden)-phenylendiaminatonickel(II)
• Formula: C28 H29 Br N2 Ni O2
• Calculated formula: C28 H29 Br N2 Ni O2
• SMILES: Brc1cc2C=[N]3[Ni]4(Oc2cc1)Oc1c(C(C)(C)C)cc(cc1C=[N]4c1c3cccc1)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: 24.5626 ± 0.0002 Å
• b: 6.7022 ± 0.0001 Å
• c: 31.2584 ± 0.0003 Å
• α: 90°
• β: 95.08°
• γ: 90°
• Cell volume: 5125.65 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.05 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No