Information card for entry 7707121

Structure parameters

• Formula: C46 H116 N28 Na2 Nb2 Ni3 O22
• Calculated formula: C46 H116 N28 Na2 Nb2 Ni3 O22
• 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: 10.1568 ± 0.0007 Å
• b: 15.3486 ± 0.001 Å
• c: 15.3374 ± 0.0009 Å
• α: 60.695 ± 0.005°
• β: 84.54 ± 0.005°
• γ: 84.295 ± 0.006°
• Cell volume: 2071.7 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No