Information card for entry 7233401

Structure parameters

• Formula: C90 H70 Gd2 N18 O25
• Calculated formula: C90 H57 Gd2 N18 O25
• Title of publication: Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties
• Authors of publication: Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 37
• Pages of publication: 5665
• a: 19.109 ± 0.002 Å
• b: 19.109 ± 0.002 Å
• c: 8.6482 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2734.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No