Information card for entry 4109560

Structure parameters

• Chemical name: (K-18crown6)4(Ni@Bi6Ni6(CO)8)*3en
• Formula: C62 H120 Bi6 K4 N6 Ni6.33 O32
• Calculated formula: C62 H120.06 Bi6 K4 N6 Ni6.334 O32
• Title of publication: Heteroatomic Deltahedral Clusters: Synthesis and Structures of closo-[Bi3Ni4(CO)6]3-, closo-[Bi4Ni4(CO)6]2-, the Open Cluster [Bi3Ni6(CO)9]3-, and the Intermetalloid closo-[Nix@{Bi6Ni6(CO)8}]4-
• Authors of publication: Jose M. Goicoechea; Michael W. Hull; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7885 - 7893
• a: 13.7111 ± 0.0003 Å
• b: 14.3075 ± 0.0004 Å
• c: 15.4124 ± 0.0006 Å
• α: 111.699 ± 0.002°
• β: 91.646 ± 0.002°
• γ: 118.149 ± 0.001°
• Cell volume: 2399.6 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No