Information card for entry 7219391

Structure parameters

• Formula: C66 H60 Cl N12 Ni2 O24 Ta
• Calculated formula: C66 H60 Cl N12 Ni2 O24 Ta
• Title of publication: Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds
• Authors of publication: Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2021
• a: 23.89 ± 0.0003 Å
• b: 13.3719 ± 0.0001 Å
• c: 23.1855 ± 0.0003 Å
• α: 90°
• β: 101.232 ± 0.001°
• γ: 90°
• Cell volume: 7264.85 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No