Information card for entry 7063378

Structure parameters

• Formula: C36 H22 N6 Nd2 O15
• Calculated formula: C36 H22 N6 Nd2 O15
• 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: 26.3857 ± 0.0012 Å
• b: 14.0955 ± 0.0007 Å
• c: 16.9025 ± 0.0008 Å
• α: 90°
• β: 98.528 ± 0.002°
• γ: 90°
• Cell volume: 6216.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.088
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No