Information card for entry 7003027

Structure parameters

• Formula: C38 H82 N8 Ni O6
• Calculated formula: C38 H82 N8 Ni O6
• SMILES: CO.[Ni]12(N(=C(C(=[N]1O)NCCCCCCCC)NCCCCCCCC)=O)[N](=C(C(=N2=O)NCCCCCCCC)NCCCCCCCC)O.CO
• Title of publication: Channel architecture via self assembly of oxamide oximes complexes
• Authors of publication: Yuksel, Fatma; Gümüş, Gülay; Gürol, İlke; Ahsen, Vefa; Chumakov, Yurii; Jeanneau, Erwann; Luneau, Dominique
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 241 - 252
• a: 8.9868 ± 0.0003 Å
• b: 9.3738 ± 0.0003 Å
• c: 15.305 ± 0.0006 Å
• α: 75.756 ± 0.001°
• β: 81.424 ± 0.001°
• γ: 83.26 ± 0.001°
• Cell volume: 1231.31 ± 0.07 ų
• Cell temperature: 160 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.183
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections: 0.1525
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No