Information card for entry 4313080

Structure parameters

• Formula: C14 H26 Au2 N10 Ni2 O4
• Calculated formula: C14 H26 Au2 N10 Ni2 O4
• SMILES: C(#N)[Au]C#[N][Ni]123([NH2]CC[NH]2CC[NH2]1)[O]=C1C(=[O][Ni]24([NH2]CC[NH]4CC[NH2]2)([N]#C[Au]C#N)O1)O3
• Title of publication: Water Displacement by Cyanogold Complexes in Binuclear Nickel(II) Compounds Based on Bridging Oxalate. Synthesis, Structural Diversity, Magnetic Properties, and DFT Calculations
• Authors of publication: Pablo Vitoria; Iñaki Muga; Juan M. Gutiérrez-Zorrilla; Antonio Luque; Pascual Román; Luis Lezama; F. Javier Zúniga; Javier I. Beitia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 960 - 969
• a: 10.5353 ± 0.0008 Å
• b: 10.3862 ± 0.0014 Å
• c: 12.5381 ± 0.0015 Å
• α: 90°
• β: 114.532 ± 0.008°
• γ: 90°
• Cell volume: 1248.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No