Information card for entry 7110873

Structure parameters

• Formula: C112 H122 N12 Ni2 O4 Zn2
• Calculated formula: C112 H122 N12 Ni2 O4 Zn2
• SMILES: C12C(N([Ni]3([N]=1c1c(cc(cc1C)C)C)OC(=CC(=[O]3)C)C)c1c(cc(cc1C)C)C)=[N]([Zn]1(N2c2ccc(cc2)C)[N](=C2C(N1c1ccc(cc1)C)=[N]([Zn]1([N](=C3C(=[N]([Ni]4(N3c3c(cc(cc3C)C)C)OC(=CC(=[O]4)C)C)c3c(cc(cc3C)C)C)N1c1ccc(cc1)C)c1ccc(cc1)C)N2c1ccc(cc1)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccc(cc1)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: 22.2023 ± 0.0008 Å
• b: 21.6541 ± 0.0006 Å
• c: 25.343 ± 0.001 Å
• α: 90°
• β: 105.96 ± 0.002°
• γ: 90°
• Cell volume: 11714.5 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1752
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2171
• Weighted residual factors for all reflections included in the refinement: 0.261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No