Information card for entry 4115483

Structure parameters

• Chemical name: K(K-crypt)5[Bi3Mo2(CO)6]2*3en
• Formula: C108 H204 Bi6 K6 Mo4 N16 O42
• Calculated formula: C108 H204.04 Bi6 K6 Mo4 N16 O42
• Title of publication: Stabilization of Ozone-like [Bi3]3- in the Heteroatomic closo-Clusters [Bi3Cr2(CO)6]3- and [Bi3Mo2(CO)6]3-
• Authors of publication: Li Xu; Angel Ugrinov; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 4091 - 4092
• a: 12.635 ± 0.004 Å
• b: 21.115 ± 0.006 Å
• c: 29.197 ± 0.008 Å
• α: 91.602 ± 0.006°
• β: 102.387 ± 0.006°
• γ: 91.953 ± 0.006°
• Cell volume: 7599 ± 4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1724
• Residual factor for significantly intense reflections: 0.1303
• Weighted residual factors for significantly intense reflections: 0.3148
• Weighted residual factors for all reflections included in the refinement: 0.3386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No