Information card for entry 7241407

Structure parameters

• Chemical name: [Y2(H2O)4(C6H2N2O4)3]*NMP*5H2O
• Formula: C23 H33 N7 O22 Y2
• Calculated formula: C18 H18 N6 O18 Y2
• 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: 6.0453 ± 0.0002 Å
• b: 12.686 ± 0.0005 Å
• c: 13.2051 ± 0.0005 Å
• α: 62.174 ± 0.004°
• β: 86.835 ± 0.003°
• γ: 87.582 ± 0.003°
• Cell volume: 894.09 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No