Information card for entry 7715883

Structure parameters

• Formula: C24 H33.82 K8 Mo16 N24 O53.85
• Calculated formula: C24 H33.818 K8 Mo16 N24 O53.845
• Title of publication: Crown ether-like octanuclear molybdenum(V) clusters for cations-bound and gas adsorptions
• Authors of publication: Dai, Ru-Dan; Xie, Zhenlang; Liu, Cheng; Dong, Xin; Zhou, Zhao-Hui
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 15.3641 ± 0.0001 Å
• b: 24.4988 ± 0.0002 Å
• c: 25.6724 ± 0.0002 Å
• α: 90°
• β: 96.397 ± 0.001°
• γ: 90°
• Cell volume: 9602.98 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No