Information card for entry 7241990

Structure parameters

• Formula: C84 H64 Gd4 N4 O28
• Calculated formula: C84 H64 Gd4 N4 O28
• Title of publication: Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties
• Authors of publication: Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1388 - 1397
• a: 19.4366 ± 0.0009 Å
• b: 8.7643 ± 0.0004 Å
• c: 45.084 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7680 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.01 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No