Information card for entry 7716448

Structure parameters

• Formula: C54 H69 B6 N36 O9 Sm5
• Calculated formula: C54 H62 B6 N36 O9 Sm5
• Title of publication: Activation and functionalisation of carbon dioxide by bis-tris(pyrazolyl)borate-supported divalent samarium and trivalent lanthanide silylamide complexes.
• Authors of publication: Chowdhury, Tajrian; Wilson, Claire; Farnaby, Joy H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 28
• Pages of publication: 11884 - 11894
• a: 16.5313 ± 0.0005 Å
• b: 39.6991 ± 0.0018 Å
• c: 27.9152 ± 0.001 Å
• α: 90°
• β: 105.905 ± 0.003°
• γ: 90°
• Cell volume: 17618.8 ± 1.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.2706
• Residual factor for significantly intense reflections: 0.1792
• Weighted residual factors for significantly intense reflections: 0.4017
• Weighted residual factors for all reflections included in the refinement: 0.4614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.389
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No