Information card for entry 7061134

Structure parameters

• Formula: C100 H124 Mo6 O19 P6 S8
• Calculated formula: C100 H109 Mo6 O19 P6 S8
• Title of publication: Neutral Mo6Q8-clusters with terminal phosphane ligands – a route to water-soluble molecular units of Chevrel phases
• Authors of publication: Novikova, Evgeniya D.; Gassan, Alena D.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Shestopalov, Michael A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 2218 - 2223
• a: 14.2549 ± 0.0006 Å
• b: 15.2377 ± 0.0005 Å
• c: 17.0827 ± 0.0007 Å
• α: 98.206 ± 0.002°
• β: 108.992 ± 0.002°
• γ: 114.838 ± 0.001°
• Cell volume: 3010.5 ± 0.2 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: 0.0757
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No