Information card for entry 7239809

Structure parameters

• Formula: C45 H39 La2 N9 O15
• Calculated formula: C45 H39 La2 N9 O15
• Title of publication: Cyclometalation of lanthanum(iii) based MOF for catalytic hydrogenation of carbon dioxide to formate
• Authors of publication: Tshuma, Piwai; Makhubela, Banothile C. E.; Öhrström, Lars; Bourne, Susan A.; Chatterjee, Nabanita; Beas, Isaac N.; Darkwa, James; Mehlana, Gift
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 3593 - 3605
• a: 18.0826 ± 0.0012 Å
• b: 13.3216 ± 0.0009 Å
• c: 21.9623 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5290.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No