Information card for entry 7707125

Structure parameters

• Formula: C46 H112 Li2 N28 Nb2 Ni3 O20
• Calculated formula: C46 H112 Li2 N28 Nb2 Ni3 O20
• 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: 26.4583 ± 0.001 Å
• b: 15.5934 ± 0.0006 Å
• c: 10.1748 ± 0.0004 Å
• α: 90°
• β: 96.078 ± 0.002°
• γ: 90°
• Cell volume: 4174.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No