Information card for entry 7715885

Structure parameters

• Formula: C24 H29 Mo16 N23 Na2 O49
• Calculated formula: C24 H32 Mo16 N24 Na2 O49
• 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: 32.8779 ± 0.0002 Å
• b: 32.8779 ± 0.0002 Å
• c: 20.694 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22369.3 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No