Information card for entry 7063377

Structure parameters

• Formula: C189 H177 N39 Nd8 O67
• Calculated formula: C189 H177 N39 Nd8 O67
• Title of publication: Synthesis and characterisation of neodymium-based MOFs for application in carbon dioxide reduction to syngas
• Authors of publication: Marazani, Linia Gedi; Gumbo, Maureen; Moyo, Lendly; Makhubela, Banothile C. E.; Mehlana, Gift
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 34
• Pages of publication: 15025 - 15035
• a: 27.409 ± 0.0003 Å
• b: 11.1853 ± 0.0002 Å
• c: 16.97965 ± 0.00019 Å
• α: 90°
• β: 98.5206 ± 0.0012°
• γ: 90°
• Cell volume: 5148.13 ± 0.12 ų
• Cell temperature: 143.8 ± 0.3 K
• Ambient diffraction temperature: 143.8 ± 0.3 K
• Number of distinct elements: 5
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No