Information card for entry 7057867

Structure parameters

• Formula: C24 H56 Al2 Mo2 N4 Na6 O46
• Calculated formula: C24 H56 Al2 Mo2 N4 Na6 O46
• SMILES: [Mo]123(O[Al]456(OC(=O)C[N]78CC(=O)O[Mo]8(OC(=O)C7)(O[Al]789(OC(=O)C[N]3(CC(=O)O1)CC(=O)O2)OC(=O)C[N]9(CC(=O)O7)CC(=O)O8)(=O)=O)OC(=O)C[N]6(CC(=O)O4)CC(=O)O5)(=O)=O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O
• Title of publication: Iron molybdenum nitrilotriacetate and iminodiacetate ‒ spectroscopy, structural characterization and CO2 adsorption
• Authors of publication: Wang, Si-Yuan; Dong, Xin; Chen, Jun-Fei; Zhou, Zhao-Hui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 18526
• a: 15.4271 ± 0.0004 Å
• b: 11.0633 ± 0.0002 Å
• c: 16.3607 ± 0.0003 Å
• α: 90°
• β: 107.399 ± 0.002°
• γ: 90°
• Cell volume: 2664.59 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No