Information card for entry 7716988

Structure parameters

• Formula: H16 I8 Mo6 N4 O20
• Calculated formula: I8 Mo6 N4 O20
• Title of publication: Octahedral molybdenum iodide clusters with pyrazole or pyrazolate ligands
• Authors of publication: Kozlova, Ksenia S.; Berezin, Alexey S.; Kuratieva, Natalia; Shestopalov, Michael A.; Ivanov, Anton A.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.5953 ± 0.0002 Å
• b: 10.7947 ± 0.0002 Å
• c: 15.9552 ± 0.0003 Å
• α: 90.155 ± 0.001°
• β: 90.678 ± 0.001°
• γ: 117.139 ± 0.001°
• Cell volume: 1623.75 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No