Information card for entry 7133701

Structure parameters

• Formula: C61 H97 Ca N2 O Si2
• Calculated formula: C61 H97 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: 11.859 ± 0.003 Å
• b: 14.163 ± 0.002 Å
• c: 18.825 ± 0.003 Å
• α: 92.034 ± 0.011°
• β: 106.542 ± 0.014°
• γ: 92.672 ± 0.015°
• Cell volume: 3023.7 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No