Information card for entry 7110872

Structure parameters

• Formula: C44 H50 N4 Ni2 O4
• Calculated formula: C44 H50 N4 Ni2 O4
• SMILES: [Ni]12(OC(=CC(=[O]1)C)C)[N](=C1C(N2c2c(cc(cc2C)C)C)=[N]([Ni]2(OC(=CC(=[O]2)C)C)N1c1ccc(cc1)C)c1ccc(cc1)C)c1c(cc(cc1C)C)C
• Title of publication: Di- and oligo-nuclear nickel complexes with oxalic amidinato bridging ligands: syntheses, structures and catalytic reactions
• Authors of publication: Döhler, Thomas; Görls, Helmar; Walther, Dirk
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 945
• a: 12.696 ± 0.002 Å
• b: 8.873 ± 0.001 Å
• c: 36.989 ± 0.004 Å
• α: 90°
• β: 98.278 ± 0.006°
• γ: 90°
• Cell volume: 4123.5 ± 0.9 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.108
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections: 0.2709
• Weighted residual factors for significantly intense reflections: 0.2307
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for significantly intense reflections: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No