Information card for entry 4109561

Structure parameters

• Chemical name: (K-18crown6)3(Bi3Ni6(CO)9)*en*0.5tol
• Formula: C50.5 H84 Bi3 K3 N2 Ni6 O27
• Calculated formula: C50.5 H83.5 Bi3 K3 N2 Ni6 O27
• 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: 12.4407 ± 0.0007 Å
• b: 12.7175 ± 0.0007 Å
• c: 22.9792 ± 0.0013 Å
• α: 86.716 ± 0.002°
• β: 89.544 ± 0.002°
• γ: 82.269 ± 0.002°
• Cell volume: 3596.7 ± 0.3 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: 0.1038
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No