Information card for entry 4323370

Structure parameters

• Formula: C42 H100 Ga Mo3 O47 S10
• Calculated formula: C42 H100 Ga Mo3 O47 S10
• Title of publication: Sulfur-Bridged Cubane-Type Molybdenum-Gallium Clusters with Mo3GaS4n+ (n = 5, 6) Cores. X-ray Structures of [Mo3GaS4(H2O)12](CH3C6H4SO3)5.14H2O and [Mo3GaS4(H2O)12](CH3C6H4SO3)6.17H2O
• Authors of publication: Takashi Shibahara; Syoji Kobayashi; Naoki Tsuji; Genta Sakane; Minoru Fukuhara
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 1702 - 1706
• a: 11.188 ± 0.001 Å
• b: 30.936 ± 0.004 Å
• c: 23.985 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8301.5 ± 1.5 ų
• Cell temperature: 290.2 K
• Ambient diffraction temperature: 290.2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.0641
• Goodness-of-fit parameter for significantly intense reflections: 1.482
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No