Information card for entry 7208991

Structure parameters

• Formula: C44 H31 N6 Ni O14 Ta
• Calculated formula: C44 H31 N6 Ni O14 Ta
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Ni]124([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.C(C)O[Ta]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.O
• Title of publication: A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition
• Authors of publication: Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 533
• a: 11.5314 ± 0.0006 Å
• b: 12.6938 ± 0.0006 Å
• c: 15.613 ± 0.0008 Å
• α: 108.324 ± 0.004°
• β: 92.332 ± 0.004°
• γ: 109.013 ± 0.004°
• Cell volume: 2024.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No