Information card for entry 7208990

Structure parameters

• Formula: C42 H41 N6 Ni O21 Ta
• Calculated formula: C42 H39 N6 Ni O21 Ta
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Ni]124([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.C1(=O)C(=O)O[Ta]23(O)(O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.O.O.O.O.O.O.O.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: 11.6629 ± 0.0003 Å
• b: 13.5404 ± 0.0004 Å
• c: 16.0209 ± 0.0004 Å
• α: 65.972 ± 0.003°
• β: 80.64 ± 0.002°
• γ: 76.627 ± 0.002°
• Cell volume: 2241.45 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No