Information card for entry 1571979

Structure parameters

• Formula: C79.8 H106.2 I4 Mo8 N2.6 O28.6
• Calculated formula: C79.8 H102 I4 Mo8 N2.6 O28.6
• Title of publication: Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.
• Authors of publication: Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 12459 - 12472
• a: 13.9442 ± 0.0004 Å
• b: 14.7482 ± 0.0004 Å
• c: 14.7605 ± 0.0004 Å
• α: 61.08 ± 0.001°
• β: 81.734 ± 0.001°
• γ: 65.704 ± 0.001°
• Cell volume: 2415.85 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No