Information card for entry 7035579

Structure parameters

• Formula: C36 H54 B2 N O2 P2 S Si Y
• Calculated formula: C36 H54 B2 N O2 P2 S Si Y
• Title of publication: Alkynyl-functionalized gold NHC complexes and their coinage metal clusters.
• Authors of publication: Kiefer, Claude; Bestgen, Sebastian; Gamer, Michael T.; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 30
• Pages of publication: 13662 - 13670
• a: 9.843 ± 0.002 Å
• b: 11.425 ± 0.002 Å
• c: 36.05 ± 0.007 Å
• α: 90°
• β: 97.48 ± 0.03°
• γ: 90°
• Cell volume: 4019.6 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No