Information card for entry 7120868

Structure parameters

• Formula: C108 H258 Cu2 K6 N36 O18 Si18
• Calculated formula: C108 H258 Cu2 K6 N36 O18 Si18
• Title of publication: Low Oxidation State Silicon Clusters ‒ Synthesis and Structure of [NHCDippCu(η4-Si9)]3-
• Authors of publication: Geitner, Felix; Fässler, Thomas F
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 17.1066 ± 0.0003 Å
• b: 18.1573 ± 0.0003 Å
• c: 30.8056 ± 0.0005 Å
• α: 87.076 ± 0.001°
• β: 81.339 ± 0.002°
• γ: 65.383 ± 0.002°
• Cell volume: 8598.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No