Information card for entry 7715116

Structure parameters

• Formula: C18 H36 Li2 N12 Nb Ni O6
• Calculated formula: C18 H36 Li2 N12 Nb Ni O6
• Title of publication: Switching of magnetic properties by topotactic reaction in a 1D CN-bridged Ni(II)-Nb(IV) system.
• Authors of publication: Heczko, Michał; Nowicka, Beata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5788 - 5795
• a: 10.259 ± 0.0008 Å
• b: 9.6405 ± 0.0007 Å
• c: 15.8896 ± 0.0012 Å
• α: 90°
• β: 105.385 ± 0.002°
• γ: 90°
• Cell volume: 1515.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No