Information card for entry 4330377

Structure parameters

• Formula: C138.7 H102.05 F18 Mo6 N21.35 O34
• Calculated formula: C138.7 H102.05 F18 Mo6 N21.35 O34
• Title of publication: An Inclusion Complex of Hexamolybdate inside a Supramolecular Cage and Its Structural Conversion
• Authors of publication: Muxin Han; Jakob Hey; Wataru Kawamura; Dietmar Stalke; Mitsuhiko Shionoya; Guido H. Clever
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9574 - 9576
• a: 14.986 ± 0.004 Å
• b: 23.994 ± 0.008 Å
• c: 24.61 ± 0.009 Å
• α: 62.61 ± 0.02°
• β: 82.9 ± 0.02°
• γ: 73.8 ± 0.02°
• Cell volume: 7545 ± 5 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 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: 0.0975
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No