Information card for entry 7718162

Structure parameters

• Formula: I12 Nb4 O
• Calculated formula: I11.9987 Nb4 O
• Title of publication: The family of tetranuclear Nb₄OI_12-<i>x</i> clusters (<i>x</i> = 0, 1, 2): from the molecular Nb₄OI₁₂ cluster to extended chains and layers.
• Authors of publication: Beitlberger, Jan; Martin, Mario; Scheele, Marcus; Schmidt, Patrick; Ströbele, Markus; Meyer, H-Jürgen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 5486 - 5493
• a: 37.9189 ± 0.0008 Å
• b: 17.8026 ± 0.0004 Å
• c: 7.3403 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4955.1 ± 0.2 ų
• Cell temperature: 269.99 ± 0.1 K
• Ambient diffraction temperature: 269.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No