Information card for entry 7133702

Structure parameters

• Formula: C54 H82 Ca N2 Si2
• Calculated formula: C54 H82 Ca N2 Si2
• Title of publication: CO reduction by calcium and ytterbium hydride complexes with a bulky monodentate carbazolyl ligand.
• Authors of publication: Hinz, Alexander; Winkler, Lucas; Sun, Xiaofei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 80
• Pages of publication: 11291 - 11294
• a: 16.4998 ± 0.0008 Å
• b: 16.2635 ± 0.001 Å
• c: 20.1945 ± 0.001 Å
• α: 90°
• β: 91.354 ± 0.004°
• γ: 90°
• Cell volume: 5417.6 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No