Information card for entry 4109557

Structure parameters

• Chemical name: (K-crypt)3[Bi3Ni4(CO)6]*en*tol
• Formula: C69 H124 Bi3 K3 N8 Ni4 O24
• Calculated formula: C69 H124.02 Bi3 K3 N8 Ni4 O24
• 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: 21.0795 ± 0.0006 Å
• b: 18.9497 ± 0.0005 Å
• c: 22.5312 ± 0.0005 Å
• α: 90°
• β: 99.782 ± 0.002°
• γ: 90°
• Cell volume: 8869.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No