Information card for entry 1570636

Structure parameters

• Formula: C50 H60 Cu Ge N3 S
• Calculated formula: C50 H60 Cu Ge N3 S
• Title of publication: The structures and reactivity of NHC-supported copper(i) triphenylgermyls
• Authors of publication: Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.
• Journal of publication: Chemical Science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 584 - 593
• a: 10.22373 ± 0.00004 Å
• b: 20.07164 ± 0.00009 Å
• c: 22.27774 ± 0.00011 Å
• α: 90°
• β: 98.8634 ± 0.0004°
• γ: 90°
• Cell volume: 4516.96 ± 0.04 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• 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: 0.0295
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No