Information card for entry 7707126

Structure parameters

• Formula: C46 H121 Ba N28 Nb2 Ni3 O24.5
• Calculated formula: C46 H72 Ba N28 Nb2 Ni3 O24.5
• Title of publication: Tuning of magnetic properties of the 2D CN-bridged Ni^II-Nb^IV framework by incorporation of guest cations of alkali and alkaline earth metals.
• Authors of publication: Heczko, Michał; Reczyński, Mateusz; Näther, Christian; Nowicka, Beata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 22
• Pages of publication: 7537 - 7544
• a: 20.1987 ± 0.0006 Å
• b: 15.7904 ± 0.0004 Å
• c: 26.4099 ± 0.0007 Å
• α: 90°
• β: 95.166 ± 0.001°
• γ: 90°
• Cell volume: 8389.1 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No