Information card for entry 7707400

Structure parameters

• Formula: C14 H28 I8 Mo6 O14 S2
• Calculated formula: C14 H14 I8 Mo6 O14 S2
• Title of publication: Optical property trends in a family of {Mo₆I₈} aquahydroxo complexes.
• Authors of publication: Marchuk, Margarita V.; Vorotnikova, Natalya A.; Vorotnikov, Yuri A.; Kuratieva, Natalia V.; Stass, Dmitri V.; Shestopalov, Michael A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 25
• Pages of publication: 8794 - 8802
• a: 9.4471 ± 0.001 Å
• b: 9.4592 ± 0.001 Å
• c: 11.5036 ± 0.0013 Å
• α: 77.3 ± 0.003°
• β: 79.348 ± 0.003°
• γ: 73.852 ± 0.003°
• Cell volume: 954.84 ± 0.18 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: 0.068
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No