Information card for entry 7133694

Structure parameters

• Formula: C58 H90 Ca N2 O Si2
• Calculated formula: C58 H90 Ca N2 O 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: 16.1404 ± 0.0004 Å
• b: 18.4014 ± 0.0003 Å
• c: 19.6125 ± 0.0005 Å
• α: 90°
• β: 97.612 ± 0.002°
• γ: 90°
• Cell volume: 5773.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No