Information card for entry 7241406

Structure parameters

• Chemical name: [La2(H2O)2(nmp)2(C6H2N2O4)3]
• Formula: C28 H28 La2 N8 O16
• Calculated formula: C28 H28 La2 N8 O16
• Title of publication: Lanthanide contraction effect and white-emitting luminescence in a series of metal‒organic frameworks based on 2,5-pyrazinedicarboxylic acid
• Authors of publication: Barsukova, Marina O.; Cherezova, Sofia V.; Sapianik, Aleksandr A.; Lundovskaya, Olga V.; Samsonenko, Denis G.; Fedin, Vladimir P.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 63
• Pages of publication: 38252 - 38259
• a: 6.1241 ± 0.0002 Å
• b: 12.8424 ± 0.0003 Å
• c: 20.6476 ± 0.0004 Å
• α: 90°
• β: 90.852 ± 0.002°
• γ: 90°
• Cell volume: 1623.72 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No