Information card for entry 4319558

Structure parameters

• Formula: C28.5 H24 K0.5 N12.5 O S12 W3
• Calculated formula: C28.5 H24 K0.5 N12.5 O S12 W3
• Title of publication: Adduct of Acetylene at Sulfur in an Oxygen- and Sulfur-Bridged Open Cubane Cluster Complex of Tungsten
• Authors of publication: Masataka Maeyama; Genta Sakane; Roberta Piertatelli; Ivano Bertini; Takashi Shibahara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2111 - 2119
• a: 14.465 ± 0.005 Å
• b: 17.353 ± 0.003 Å
• c: 10.202 ± 0.002 Å
• α: 90.98 ± 0.01°
• β: 108.59 ± 0.02°
• γ: 98.13 ± 0.02°
• Cell volume: 2397.5 ± 1.1 ų
• Cell temperature: 282.2 K
• Ambient diffraction temperature: 282.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No