Information card for entry 4120481

Structure parameters

• Chemical name: [K(2,2,2-crypt)]3[Ru@Ge12]*4py
• Formula: C74 H128 Ge12 K3 N10 O18 Ru
• Calculated formula: C74 H128 Ge12 K3 N10 O18 Ru
• Title of publication: Synthesis and characterization of [ru@ge12](3-): an endohedral 3-connected cluster.
• Authors of publication: Espinoza-Quintero, Gabriela; Duckworth, Jack C. A.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 4
• Pages of publication: 1210 - 1213
• a: 14.1424 ± 0.0001 Å
• b: 26.0428 ± 0.0002 Å
• c: 14.2684 ± 0.0001 Å
• α: 90°
• β: 107.754 ± 0.001°
• γ: 90°
• Cell volume: 5004.88 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No