Information card for entry 7050163

Structure parameters

• Formula: C28 H58 N8 Ni O4
• Calculated formula: C28 H58 N8 Ni O4
• SMILES: N1([Ni]2([N](=C(C=1NCCCCCC)NCCCCCC)O)N(=C(C(=[N]2O)NCCCCCC)NCCCCCC)=O)=O
• Title of publication: Unprecedented tubular channels assemblies afforded by alkyl-substituted oxamide oxime metal complexes
• Authors of publication: Gülay Gümüş; Vefa Ahsen; Colette Lebrun; Dominique Luneau; Jacques Pécaut
• Journal of publication: New J. Chem.
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 177 - 179
• a: 27.3962 ± 0.0016 Å
• b: 27.3962 ± 0.0016 Å
• c: 12.6672 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8233.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No